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

Systemtic Name: 4-methyl-N-[1-[3-(phenylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]benzenesulfonamide Openeye Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[3-(benzenesulfonamido)-2-quinoxalinyl]-3-pyridin-1-iumyl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[3-(benzenesulfonamido)quinoxalin-2-yl]pyridin-1-ium-3-yl]-4-methyl-benzenesulfonamide Formula: C26H22N5O4S2+ MolecularWeight: 532.61398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H22N5O4S2/c1-19-13-15-22(16-14-19)36(32,33)29-20-8-7-17-31(18-20)26-25(27-23-11-5-6-12-24(23)28-26)30-37(34,35)21-9-3-2-4-10-21/h2-18,29H,1H3,(H,27,30)/q+1