2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3-chlorophenyl)methylthio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(3-chlorobenzyl)thio]ethanone Formula: C19H21ClN2O3S2 MolecularWeight: 424.96464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O3S2/c20-17-6-4-5-16(13-17)14-26-15-19(23)21-9-11-22(12-10-21)27(24,25)18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2