2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C20H22N4O3S2/c1-2-18(19(25)23-15-7-9-16(10-8-15)29(22,26)27)28-20-14(12-21)11-13-5-3-4-6-17(13)24-20/h7-11,18H,2-6H2,1H3,(H,23,25)(H2,22,26,27)