4-[(4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]benzenesulfonic acid

Systemtic Name: 4-[(4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]benzenesulfonic acid Openeye Name: 4-[(2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]benzenesulfonic acid CAS Name: 4-[[(2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-[(2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]benzenesulfonic acid Traditional Name: 4-[(2-hydroxy-6-keto-4-methyl-1H-pyridine-3-carbonyl)amino]besylic acid Formula: C13H12N2O6S MolecularWeight: 324.30918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=O)NC(=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C13H12N2O6S/c1-7-6-10(16)15-13(18)11(7)12(17)14-8-2-4-9(5-3-8)22(19,20)21/h2-6H,1H3,(H,14,17)(H2,15,16,18)(H,19,20,21)