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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[4-(o-tolyl)piperazino]methanone Formula: C24H30ClN3O3S MolecularWeight: 476.0313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O3S/c1-19-8-4-5-9-22(19)26-14-16-27(17-15-26)24(29)20-10-11-21(25)23(18-20)32(30,31)28-12-6-2-3-7-13-28/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3