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

Systemtic Name: 4-chloranyl-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3-methyl-1-pyridin-1-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C20H16ClN4O2S+ MolecularWeight: 411.88464

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN4O2S/c1-14-5-4-12-25(13-14)20-19(22-17-6-2-3-7-18(17)23-20)24-28(26,27)16-10-8-15(21)9-11-16/h2-13H,1H3,(H,22,24)/q+1