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

Systemtic Name: (4-methylphenyl)sulfonyl-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: [3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-(3-methyl-1-pyridin-1-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C21H18N4O2S MolecularWeight: 390.45822

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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=CC(=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-15-9-11-17(12-10-15)28(26,27)24-20-21(25-13-5-6-16(2)14-25)23-19-8-4-3-7-18(19)22-20/h3-14H,1-2H3