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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O3S/c1-17-6-3-4-8-20(17)23-12-14-24(15-13-23)22(26)19-9-10-21-18(16-19)7-5-11-25(21)29(2,27)28/h3-4,6,8-10,16H,5,7,11-15H2,1-2H3