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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]butanamide Openeye Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-[4-[(phenylmethyl)sulfamoyl]phenyl]butanamide IUPAC Name: N-[4-(benzylsulfamoyl)phenyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C28H29N3O3S2/c1-4-25(35-26-17-20(3)24-12-8-9-19(2)27(24)31-26)28(32)30-22-13-15-23(16-14-22)36(33,34)29-18-21-10-6-5-7-11-21/h5-17,25,29H,4,18H2,1-3H3,(H,30,32)