1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]-2-[(3,4-dimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dimethylphenyl)sulfanylethanone Traditional Name: 1-[4-(2-chlorophenyl)sulfonylpiperazino]-2-[(3,4-dimethylphenyl)thio]ethanone Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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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=C3Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H23ClN2O3S2/c1-15-7-8-17(13-16(15)2)27-14-20(24)22-9-11-23(12-10-22)28(25,26)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3