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

Systemtic Name: 4-methyl-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]benzenesulfonamide Formula: C27H24N3O3S+ MolecularWeight: 470.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)[NH2+]C(=N3)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)[NH2+]C(=N3)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O3S/c1-19-7-14-24(15-8-19)34(31,32)30-21-11-16-25-26(18-21)29-27(28-25)17-20-9-12-23(13-10-20)33-22-5-3-2-4-6-22/h2-16,18,30H,17H2,1H3,(H,28,29)/p+1