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

Systemtic Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]-4-(trifluoromethyl)benzenesulfonamide Formula: C27H21F3N3O3S+ MolecularWeight: 524.53415

Click to see the large picture

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)C(F)(F)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)C(F)(F)F

InChI

InChI=1S/C27H20F3N3O3S/c28-27(29,30)19-8-13-23(14-9-19)37(34,35)33-20-10-15-24-25(17-20)32-26(31-24)16-18-6-11-22(12-7-18)36-21-4-2-1-3-5-21/h1-15,17,33H,16H2,(H,31,32)/p+1