N-(4-chlorophenyl)-3-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)benzenesulfonamide iodide

Systemtic Name: N-(4-chlorophenyl)-3-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)benzenesulfonamide iodide Openeye Name: 3-[1,3-bis(2-pyridyl)benzimidazol-3-ium-2-yl]-N-(4-chlorophenyl)benzenesulfonamide iodide CAS Name: 3-[1,3-bis(2-pyridinyl)-2-benzimidazol-3-iumyl]-N-(4-chlorophenyl)benzenesulfonamide iodide IUPAC Name: N-(4-chlorophenyl)-3-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)benzenesulfonamide iodide Traditional Name: 3-[1,3-bis(2-pyridyl)benzimidazol-3-ium-2-yl]-N-(4-chlorophenyl)benzenesulfonamide iodide Formula: C29H21ClIN5O2S MolecularWeight: 665.93181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2C3=CC=CC=N3)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=N6.[I-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2C3=CC=CC=N3)C4=CC(=CC=C4)S(=O)(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=N6.[I-]

InChI

InChI=1S/C29H21ClN5O2S.HI/c30-22-14-16-23(17-15-22)33-38(36,37)24-9-7-8-21(20-24)29-34(27-12-3-5-18-31-27)25-10-1-2-11-26(25)35(29)28-13-4-6-19-32-28;/h1-20,33H;1H/q+1;/p-1