N-(4,6-dimethylpyrimidin-2-yl)-4-[[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-oxidanyl-methyl]amino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-oxidanyl-methyl]amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[[hydroxy-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl]amino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[[hydroxy-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl]amino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[[hydroxy-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl]amino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[[hydroxy-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl]amino]benzenesulfonamide Formula: C21H20N6O5S MolecularWeight: 468.4857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(C3=C[N+](=O)C4=CC=CC=C4N3[O-])O)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(C3=C[N+](=O)C4=CC=CC=C4N3[O-])O)C

InChI

InChI=1S/C21H20N6O5S/c1-13-11-14(2)23-21(22-13)25-33(31,32)16-9-7-15(8-10-16)24-20(28)19-12-26(29)17-5-3-4-6-18(17)27(19)30/h3-12,20,24,28H,1-2H3,(H,22,23,25)