2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(8-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Openeye Name: 2-[(8-methoxy-4-methyl-2-quinolyl)sulfanyl]-N-[4-(phenethylsulfamoyl)phenyl]butanamide CAS Name: 2-[(8-methoxy-4-methyl-2-quinolinyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(8-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[4-(phenethylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(8-methoxy-4-methyl-2-quinolyl)thio]-N-[4-(phenethylsulfamoyl)phenyl]butyramide Formula: C29H31N3O4S2 MolecularWeight: 549.70414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC4=C(C=CC=C4OC)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=CC=C2)SC3=NC4=C(C=CC=C4OC)C(=C3)C

InChI

InChI=1S/C29H31N3O4S2/c1-4-26(37-27-19-20(2)24-11-8-12-25(36-3)28(24)32-27)29(33)31-22-13-15-23(16-14-22)38(34,35)30-18-17-21-9-6-5-7-10-21/h5-16,19,26,30H,4,17-18H2,1-3H3,(H,31,33)