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

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O3S2/c1-17-8-9-20(14-18(17)2)28(25,26)23-12-10-22(11-13-23)21(24)16-27-15-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3