(4-methylphenyl)sulfonyl-[3-(4-pyridin-4-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-(4-pyridin-4-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: p-tolylsulfonyl-[3-[4-(4-pyridyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide CAS Name: (4-methylphenyl)sulfonyl-[3-(4-pyridin-4-yl-1-pyridin-1-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-(4-pyridin-4-ylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-[4-(4-pyridyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]-tosyl-azanide Formula: C25H19N5O2S MolecularWeight: 453.51566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C25H19N5O2S/c1-18-6-8-21(9-7-18)33(31,32)29-24-25(28-23-5-3-2-4-22(23)27-24)30-16-12-20(13-17-30)19-10-14-26-15-11-19/h2-17H,1H3