[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-methylpiperidin-1-yl)sulfonylphenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-[4-(8-quinolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(8-quinolinylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylpiperidin-1-yl)sulfonylphenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(3-methylpiperidino)sulfonylphenyl]-[4-(8-quinolylmethyl)piperazino]methanone Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H32N4O3S/c1-21-5-4-14-31(19-21)35(33,34)25-11-9-23(10-12-25)27(32)30-17-15-29(16-18-30)20-24-7-2-6-22-8-3-13-28-26(22)24/h2-3,6-13,21H,4-5,14-20H2,1H3