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

Systemtic Name: (E)-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]-2-phenyl-ethenesulfonamide Formula: C28H24N3O3S+ MolecularWeight: 482.57346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CS(=O)(=O)NC2=CC3=C(C=C2)[NH2+]C(=N3)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)/C=C/S(=O)(=O)NC2=CC3=C(C=C2)[NH2+]C(=N3)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O3S/c32-35(33,18-17-21-7-3-1-4-8-21)31-23-13-16-26-27(20-23)30-28(29-26)19-22-11-14-25(15-12-22)34-24-9-5-2-6-10-24/h1-18,20,31H,19H2,(H,29,30)/p+1/b18-17+