2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone CAS Name: 2-[(4-chlorophenyl)methylthio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(4-chlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(4-chlorobenzyl)thio]ethanone Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN2O3S2/c21-19-8-6-17(7-9-19)14-27-15-20(24)22-10-12-23(13-11-22)28(25,26)16-18-4-2-1-3-5-18/h1-9H,10-16H2