6-(2-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1H-quinoline-4-carboxamide

Systemtic Name: 6-(2-methylpiperidin-1-yl)sulfonyl-2-oxidanylidene-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-1H-quinoline-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-[(2-methyl-1-piperidyl)sulfonyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: 6-[(2-methyl-1-piperidinyl)sulfonyl]-2-oxo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-1H-quinoline-4-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-2-keto-6-(2-methylpiperidino)sulfonyl-1H-quinoline-4-carboxamide Formula: C29H37N5O4S MolecularWeight: 551.70018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H37N5O4S/c1-22-7-5-6-13-34(22)39(37,38)24-10-11-27-25(19-24)26(20-28(35)31-27)29(36)30-12-14-32-15-17-33(18-16-32)21-23-8-3-2-4-9-23/h2-4,8-11,19-20,22H,5-7,12-18,21H2,1H3,(H,30,36)(H,31,35)