2-[[4-(4-chlorophenyl)sulfanylphenyl]methylsulfinyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-chlorophenyl)sulfanylphenyl]methylsulfinyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylsulfinyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[4-[(4-chlorophenyl)thio]phenyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[4-(4-chlorophenyl)sulfanylphenyl]methylsulfinyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(4-chlorophenyl)thio]benzyl]sulfinyl-ethanone Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O3S2/c1-16(25)23-10-12-24(13-11-23)21(26)15-29(27)14-17-2-6-19(7-3-17)28-20-8-4-18(22)5-9-20/h2-9H,10-15H2,1H3