2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]ethanamide

Systemtic Name: 2-(3,6-dimethylquinolin-2-yl)sulfanyl-N-[4-[(phenylmethyl)sulfamoyl]phenyl]ethanamide Openeye Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(3,6-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: 2-[(3,6-dimethyl-2-quinolinyl)thio]-N-[4-[(phenylmethyl)sulfamoyl]phenyl]acetamide IUPAC Name: N-[4-(benzylsulfamoyl)phenyl]-2-(3,6-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(benzylsulfamoyl)phenyl]-2-[(3,6-dimethyl-2-quinolyl)thio]acetamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3O3S2/c1-18-8-13-24-21(14-18)15-19(2)26(29-24)33-17-25(30)28-22-9-11-23(12-10-22)34(31,32)27-16-20-6-4-3-5-7-20/h3-15,27H,16-17H2,1-2H3,(H,28,30)