2-(4-methylphenyl)-N-methylsulfanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine

Systemtic Name: 2-(4-methylphenyl)-N-methylsulfanyl-2-[3-(phenylsulfonyl)piperazin-1-yl]ethanamine Openeye Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-N-methylsulfanyl-2-(p-tolyl)ethanamine CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-2-(4-methylphenyl)ethyl]methanesulfenamide IUPAC Name: 2-[3-(benzenesulfonyl)piperazin-1-yl]-2-(4-methylphenyl)-N-methylsulfanylethanamine Traditional Name: [2-(3-besylpiperazino)-2-(p-tolyl)ethyl]-(methylthio)amine Formula: C20H27N3O2S2 MolecularWeight: 405.57728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2S2/c1-16-8-10-17(11-9-16)19(14-22-26-2)23-13-12-21-20(15-23)27(24,25)18-6-4-3-5-7-18/h3-11,19-22H,12-15H2,1-2H3