N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(3-methyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C22H17N6O4S+ MolecularWeight: 461.47318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N6O4S/c1-26-14-27(20-12-5-4-11-19(20)26)22-21(23-17-9-2-3-10-18(17)24-22)25-33(31,32)16-8-6-7-15(13-16)28(29)30/h2-14H,1H3,(H,23,25)/q+1