1-[4-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[4-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[4-(methylthio)benzoyl]piperazino]sulfonylphenyl]ethanone Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H22N2O4S2/c1-15(23)16-5-9-19(10-6-16)28(25,26)22-13-11-21(12-14-22)20(24)17-3-7-18(27-2)8-4-17/h3-10H,11-14H2,1-2H3