2-(phenylmethylsulfanyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(phenylmethylsulfanyl)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-benzylsulfanyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(phenylmethylthio)-1-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C20H21F3N2O3S2 MolecularWeight: 458.51755

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O3S2/c21-20(22,23)17-6-8-18(9-7-17)30(27,28)25-12-10-24(11-13-25)19(26)15-29-14-16-4-2-1-3-5-16/h1-9H,10-15H2