2-phenethylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-phenethylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-phenethylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(phenethylthio)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-phenethylsulfanyl-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(phenethylthio)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C21H23F3N2O3S2 MolecularWeight: 472.54413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CSCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O3S2/c22-21(23,24)18-7-4-8-19(15-18)31(28,29)26-12-10-25(11-13-26)20(27)16-30-14-9-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2