2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C20H20F3N4O4S+ MolecularWeight: 469.45741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H19F3N4O4S/c21-20(22,23)31-17-7-5-16(6-8-17)25-19(28)14-26-9-11-27(12-10-26)32(29,30)18-4-2-1-3-15(18)13-24/h1-8H,9-12,14H2,(H,25,28)/p+1