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

Systemtic Name: N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(3-methyl-1-pyridin-1-iumyl)-2-quinoxalinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]-3-nitro-benzenesulfonamide Formula: C20H16N5O4S+ MolecularWeight: 422.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N5O4S/c1-14-6-5-11-24(13-14)20-19(21-17-9-2-3-10-18(17)22-20)23-30(28,29)16-8-4-7-15(12-16)25(26)27/h2-13H,1H3,(H,21,23)/q+1