1-[2-(4-methylphenyl)sulfanylethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(p-tolylsulfanyl)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[2-[(4-methylphenyl)thio]ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[2-(p-tolylthio)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C20H24F3N2O2S2+ MolecularWeight: 445.54197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2S2/c1-16-2-6-18(7-3-16)28-15-14-24-10-12-25(13-11-24)29(26,27)19-8-4-17(5-9-19)20(21,22)23/h2-9H,10-15H2,1H3/p+1