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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(3-methylbenzyl)thio]ethanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c1-17-6-5-7-18(14-17)15-26-16-20(23)21-10-12-22(13-11-21)27(24,25)19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3