[3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(o-tolyl)piperazino]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O3S/c1-20-9-4-5-12-23(20)25-15-17-26(18-16-25)24(28)21-10-8-11-22(19-21)31(29,30)27-13-6-2-3-7-14-27/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3