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

Systemtic Name: N-[4-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[1,3-bis(2-pyridyl)benzimidazol-3-ium-2-yl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[1,3-bis(2-pyridinyl)-2-benzimidazol-3-iumyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(1,3-dipyridin-2-ylbenzimidazol-3-ium-2-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[1,3-bis(2-pyridyl)benzimidazol-3-ium-2-yl]phenyl]-3-nitro-benzenesulfonamide Formula: C29H21N6O4S+ MolecularWeight: 549.57984

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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

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

InChI

InChI=1S/C29H20N6O4S/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/p+1