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

Systemtic Name: 2-phenylsulfanyl-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-phenylsulfanyl-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(phenylthio)-1-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-phenylsulfanyl-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(phenylthio)-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazino]ethanone Formula: C19H19F3N2O3S2 MolecularWeight: 444.49097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H19F3N2O3S2/c20-19(21,22)16-8-4-5-9-17(16)29(26,27)24-12-10-23(11-13-24)18(25)14-28-15-6-2-1-3-7-15/h1-9H,10-14H2