2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide Openeye Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-[(phenylmethyl)sulfamoyl]phenyl]propanamide IUPAC Name: N-[4-(benzylsulfamoyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4

InChI

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