4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide

Systemtic Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide CAS Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1-pyrazol-1-iumyl]benzenesulfonamide IUPAC Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide Formula: C16H14F3N4O4S2+ MolecularWeight: 447.43197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+]2(C=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1[N+]2(C=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N

InChI

InChI=1S/C16H14F3N4O4S2/c17-16(18,19)15-9-10-23(22-15,11-1-5-13(6-2-11)28(20,24)25)12-3-7-14(8-4-12)29(21,26)27/h1-10H,(H2,20,24,25)(H2,21,26,27)/q+1