4-fluoranyl-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Formula: C26H21FN3O3S+ MolecularWeight: 474.526643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=NC4=C([NH2+]3)C=CC(=C4)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC3=NC4=C([NH2+]3)C=CC(=C4)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H20FN3O3S/c27-19-8-13-23(14-9-19)34(31,32)30-20-10-15-24-25(17-20)29-26(28-24)16-18-6-11-22(12-7-18)33-21-4-2-1-3-5-21/h1-15,17,30H,16H2,(H,28,29)/p+1