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

Systemtic Name: 4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide CAS Name: 4-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1-pyrazol-1-iumyl]benzenesulfonamide IUPAC Name: 4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-ium-1-yl]benzenesulfonamide Formula: C16H12F4N3O2S+ MolecularWeight: 386.343993

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H12F4N3O2S/c17-11-1-3-12(4-2-11)23(10-9-15(22-23)16(18,19)20)13-5-7-14(8-6-13)26(21,24)25/h1-10H,(H2,21,24,25)/q+1