6-(3-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide

Systemtic Name: 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-6-[(3-methyl-1-piperidyl)sulfonyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-[(3-methyl-1-piperidinyl)sulfonyl]-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide IUPAC Name: 6-(3-methylpiperidin-1-yl)sulfonyl-2-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-(1-methyl-3-phenyl-propyl)-6-(3-methylpiperidino)sulfonyl-1H-quinoline-4-carboxamide Formula: C26H31N3O4S MolecularWeight: 481.60704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S/c1-18-7-6-14-29(17-18)34(32,33)21-12-13-24-22(15-21)23(16-25(30)28-24)26(31)27-19(2)10-11-20-8-4-3-5-9-20/h3-5,8-9,12-13,15-16,18-19H,6-7,10-11,14,17H2,1-2H3,(H,27,31)(H,28,30)