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

Systemtic Name: 3-nitro-N-[3-[4-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[3-[4-(phenylmethyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C26H20N5O4S+ MolecularWeight: 498.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H20N5O4S/c32-31(33)21-9-6-10-22(18-21)36(34,35)29-25-26(28-24-12-5-4-11-23(24)27-25)30-15-13-20(14-16-30)17-19-7-2-1-3-8-19/h1-16,18H,17H2,(H,27,29)/q+1