1-[4-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(2-chloro-5-methylsulfanyl-benzoyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-chloro-5-(methylthio)benzoyl]piperazino]sulfonylphenyl]ethanone Formula: C20H21ClN2O4S2 MolecularWeight: 452.97474

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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=C(C=CC(=C3)SC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S2/c1-14(24)15-3-6-17(7-4-15)29(26,27)23-11-9-22(10-12-23)20(25)18-13-16(28-2)5-8-19(18)21/h3-8,13H,9-12H2,1-2H3