Structure of Ambcb9148563 (C20H22N2O4S2)

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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Ambcb9148563 molecule contains a total of 53 bond(s). There are 31 non-H bond(s), 15 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 tertiary amide(s) (aromatic), 1 ether(s) (aliphatic), 1 sulfide(s), and 1 sulfonamide(s) (thio-/dithio-). Images of the chemical structure of Ambcb9148563 are given below:

The 2D chemical structure image of Ambcb9148563 is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Ambcb9148563 are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Ambcb9148563 is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Ambcb9148563. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ambcb9148563 Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Ambcb9148563

  The SMILES string of Ambcb9148563 is CSc1ccc(cc1C(=O)N2CCOCC2)S(=O)(=O)N3CCc4ccccc34, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ambcb9148563.

• Structure Data File (SDF/MOL File) of Ambcb9148563

  The structure data file (SDF/MOL File) of Ambcb9148563 is available for download in the SDF page of Ambcb9148563, which provides the information about the atoms, bonds, connectivity and coordinates of Ambcb9148563. The Ambcb9148563 structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Ambcb9148563

  The molecular formula of Ambcb9148563 is available in chemical formula page of Ambcb9148563, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Ambcb9148563

  The molecular weight of Ambcb9148563 is available in molecular weight page of Ambcb9148563, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Ambcb9148563

  The Ambcb9148563 compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Ambcb9148563 including the various registry numbers, if available:

  • [5-(2,3-dihydro-1H-indol-1-ylsulfonyl)-2-(methylsulfanyl)phenyl](morpholin-4-yl)methanone
  • Ambcb9148563

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Ambcb9148563 Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ambcb9148563?
C20H22N2O4S2
How many atoms and what are the elements included the Ambcb9148563 molecule?
50 atom(s) - 22 Hydrogen atom(s), 20 Carbon atom(s), 2 Nitrogen atom(s), 4 Oxygen atom(s), and 2 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Ambcb9148563 structure?
53 bond(s) - 31 non-H bond(s), 15 multiple bond(s), 4 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 nine-membered ring(s), 1 tertiary amide(s) (aromatic), 1 ether(s) (aliphatic), 1 sulfide(s), and 1 sulfonamide(s) (thio-/dithio-)
What’s the Ambcb9148563’s molecular weight?
418.52968 g/mol
What’s the SMILES code of Ambcb9148563?
CSc1ccc(cc1C(=O)N2CCOCC2)S(=O)(=O)N3CCc4ccccc34
What’s the InChI string of Ambcb9148563?
InChI=1S/C20H22N2O4S2/c1-27-19-7-6-16(14-17(19)20(23)21-10-12-26-13-11-21)28(24,25)22-9-8-15-4-2-3-5-18(15)22/h2-7,14H,8-13H2,1H3
What’s the InChIKey code of Ambcb9148563?
NZEFCFXPYJTRDH-UHFFFAOYSA-N