(4-methylphenyl)-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone

Systemtic Name: (4-methylphenyl)-[6-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]methanone Openeye Name: [6-(4-benzylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[6-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]methanone IUPAC Name: [6-(4-benzylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone Traditional Name: [6-(4-benzylpiperazino)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]-(p-tolyl)methanone Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCC3=C2C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3S/c1-22-9-11-24(12-10-22)28(32)31-15-5-8-25-20-26(13-14-27(25)31)35(33,34)30-18-16-29(17-19-30)21-23-6-3-2-4-7-23/h2-4,6-7,9-14,20H,5,8,15-19,21H2,1H3