N-(2-methylsulfanylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H23F3N3O3S2+ MolecularWeight: 474.54013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22F3N3O3S2/c1-30-17-8-4-3-7-16(17)24-19(27)14-25-10-12-26(13-11-25)31(28,29)18-9-5-2-6-15(18)20(21,22)23/h2-9H,10-14H2,1H3,(H,24,27)/p+1