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

Systemtic Name: 4-methyl-N-[[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methyl-N-[[1-[3-(p-tolylsulfonylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methyl-N-[[1-[3-[(4-methylphenyl)sulfonylamino]-2-quinoxalinyl]-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[[1-[3-[(4-methylphenyl)sulfonylamino]quinoxalin-2-yl]pyridin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methyl-N-[[1-[3-(tosylamino)quinoxalin-2-yl]pyridin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C28H26N5O4S2+ MolecularWeight: 560.66714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C28H26N5O4S2/c1-20-9-13-23(14-10-20)38(34,35)29-18-22-6-5-17-33(19-22)28-27(30-25-7-3-4-8-26(25)31-28)32-39(36,37)24-15-11-21(2)12-16-24/h3-17,19,29H,18H2,1-2H3,(H,30,32)/q+1