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

Systemtic Name: 4-[4-(4-fluorophenyl)-1-phenethyl-pyrazol-1-ium-1-yl]benzenesulfonamide Openeye Name: 4-[4-(4-fluorophenyl)-1-phenethyl-pyrazol-1-ium-1-yl]benzenesulfonamide CAS Name: 4-[4-(4-fluorophenyl)-1-phenethyl-1-pyrazol-1-iumyl]benzenesulfonamide IUPAC Name: 4-[4-(4-fluorophenyl)-1-phenethylpyrazol-1-ium-1-yl]benzenesulfonamide Traditional Name: 4-[4-(4-fluorophenyl)-1-phenethyl-pyrazol-1-ium-1-yl]benzenesulfonamide Formula: C23H21FN3O2S+ MolecularWeight: 422.495143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2(C=C(C=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2(C=C(C=N2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H21FN3O2S/c24-21-8-6-19(7-9-21)20-16-26-27(17-20,15-14-18-4-2-1-3-5-18)22-10-12-23(13-11-22)30(25,28)29/h1-13,16-17H,14-15H2,(H2,25,28,29)/q+1