2-(3,4-dimethylphenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H24N2O3S2/c1-16-8-9-18(14-17(16)2)26-15-20(23)21-10-12-22(13-11-21)27(24,25)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3