2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-1-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-2-[(3-chlorophenyl)methylthio]ethanone IUPAC Name: 1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-[(3-chlorophenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(3-acetylphenyl)sulfonylpiperazino]-2-[(3-chlorobenzyl)thio]ethanone Formula: C21H23ClN2O4S2 MolecularWeight: 467.00132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4S2/c1-16(25)18-5-3-7-20(13-18)30(27,28)24-10-8-23(9-11-24)21(26)15-29-14-17-4-2-6-19(22)12-17/h2-7,12-13H,8-11,14-15H2,1H3