2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H23F3N3O4S+ MolecularWeight: 458.47453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O4S/c1-30-17-5-7-18(8-6-17)31(28,29)26-11-9-25(10-12-26)14-19(27)24-16-4-2-3-15(13-16)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)/p+1