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

Systemtic Name: 3-nitro-N-[3-(3-prop-2-enylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-allylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[3-(3-prop-2-enyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[3-(3-prop-2-enylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-allylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C24H19N6O4S+ MolecularWeight: 487.51046

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[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=CC[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/C24H19N6O4S/c1-2-14-28-16-29(22-13-6-5-12-21(22)28)24-23(25-19-10-3-4-11-20(19)26-24)27-35(33,34)18-9-7-8-17(15-18)30(31)32/h2-13,15-16H,1,14H2,(H,25,27)/q+1