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

Systemtic Name: (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone CAS Name: (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Traditional Name: (4-benzylpiperazino)-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c1-29(27,28)25-11-5-8-19-16-20(9-10-21(19)25)22(26)24-14-12-23(13-15-24)17-18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3