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

Systemtic Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C19H20F3N4O5S+ MolecularWeight: 473.44611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N4O5S/c20-19(21,22)14-4-3-5-15(12-14)23-18(27)13-24-8-10-25(11-9-24)32(30,31)17-7-2-1-6-16(17)26(28)29/h1-7,12H,8-11,13H2,(H,23,27)/p+1