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

Systemtic Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzamide Openeye Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzamide CAS Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1-pyrazol-1-iumyl]benzamide IUPAC Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzamide Traditional Name: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzamide Formula: C17H14F3N4O3S+ MolecularWeight: 411.37827

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)[N+]2(C=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)[N+]2(C=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H13F3N4O3S/c18-17(19,20)15-9-10-24(23-15,12-3-1-11(2-4-12)16(21)25)13-5-7-14(8-6-13)28(22,26)27/h1-10H,(H3-,21,22,25,26,27)/p+1