2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[methyl(o-tolylmethyl)amino]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[methyl-(2-methylbenzyl)amino]ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN(C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18-8-6-7-9-19(18)16-22(2)17-21(25)23-12-14-24(15-13-23)28(26,27)20-10-4-3-5-11-20/h3-11H,12-17H2,1-2H3