N-[4-[(phenylmethyl)sulfamoyl]phenyl]-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[(phenylmethyl)sulfamoyl]phenyl]-2-(3,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(3,7,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[4-[(phenylmethyl)sulfamoyl]phenyl]-2-[(3,7,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[4-(benzylsulfamoyl)phenyl]-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(3,7,8-trimethyl-2-quinolyl)thio]acetamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H27N3O3S2/c1-18-9-10-22-15-19(2)27(30-26(22)20(18)3)34-17-25(31)29-23-11-13-24(14-12-23)35(32,33)28-16-21-7-5-4-6-8-21/h4-15,28H,16-17H2,1-3H3,(H,29,31)