4-nitro-N-[3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-nitro-N-[3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-nitro-N-[3-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[3-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-nitro-N-[3-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Formula: C26H19N6O6S+ MolecularWeight: 543.53066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)[N+](=O)[O-])NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)[N+](=O)[O-])NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H19N6O6S/c33-31(34)20-7-5-18(6-8-20)17-19-13-15-30(16-14-19)26-25(27-23-3-1-2-4-24(23)28-26)29-39(37,38)22-11-9-21(10-12-22)32(35)36/h1-16H,17H2,(H,27,29)/q+1