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

Systemtic Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]thiophene-2-sulfonamide Openeye Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]thiophene-2-sulfonamide CAS Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]-2-thiophenesulfonamide IUPAC Name: N-[2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-1-ium-5-yl]thiophene-2-sulfonamide Traditional Name: N-[2-(4-phenoxybenzyl)-1H-benzimidazol-1-ium-5-yl]thiophene-2-sulfonamide Formula: C24H20N3O3S2+ MolecularWeight: 462.5639

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=CS5

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=CS5

InChI

InChI=1S/C24H19N3O3S2/c28-32(29,24-7-4-14-31-24)27-18-10-13-21-22(16-18)26-23(25-21)15-17-8-11-20(12-9-17)30-19-5-2-1-3-6-19/h1-14,16,27H,15H2,(H,25,26)/p+1