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

Systemtic Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Openeye Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide CAS Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide IUPAC Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Traditional Name: N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Formula: C26H22N3O3S+ MolecularWeight: 456.53618

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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=CC=C5

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=CC=C5

InChI

InChI=1S/C26H21N3O3S/c30-33(31,23-9-5-2-6-10-23)29-20-13-16-24-25(18-20)28-26(27-24)17-19-11-14-22(15-12-19)32-21-7-3-1-4-8-21/h1-16,18,29H,17H2,(H,27,28)/p+1