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

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1H-imidazol-3-ium-3-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C17H13N6O4S+ MolecularWeight: 397.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)[N+]3=CNC=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)[N+]3=CNC=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O4S/c24-23(25)12-4-3-5-13(10-12)28(26,27)21-16-17(22-9-8-18-11-22)20-15-7-2-1-6-14(15)19-16/h1-11H,(H,19,21)/p+1