N-[4-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)phenyl]-3-nitro-benzenesulfonamide iodide

Systemtic Name: N-[4-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)phenyl]-3-nitro-benzenesulfonamide iodide Openeye Name: N-[4-[1,3-bis(2-pyridyl)benzimidazol-3-ium-2-yl]phenyl]-3-nitro-benzenesulfonamide iodide CAS Name: N-[4-[1,3-bis(2-pyridinyl)-2-benzimidazol-3-iumyl]phenyl]-3-nitrobenzenesulfonamide iodide IUPAC Name: N-[4-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)phenyl]-3-nitrobenzenesulfonamide iodide Traditional Name: N-[4-[1,3-bis(2-pyridyl)benzimidazol-3-ium-2-yl]phenyl]-3-nitro-benzenesulfonamide iodide Formula: C29H21IN6O4S MolecularWeight: 676.48431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H20N6O4S.HI/c36-35(37)23-8-7-9-24(20-23)40(38,39)32-22-16-14-21(15-17-22)29-33(27-12-3-5-18-30-27)25-10-1-2-11-26(25)34(29)28-13-4-6-19-31-28;/h1-20H;1H