3-[(4,5-dimethyl-6-oxidanyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]benzenesulfonic acid

Systemtic Name: 3-[(4,5-dimethyl-6-oxidanyl-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]benzenesulfonic acid Openeye Name: 3-[(6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzenesulfonic acid CAS Name: 3-[[(6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 3-[(6-hydroxy-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzenesulfonic acid Traditional Name: 3-[(6-hydroxy-2-keto-4,5-dimethyl-1H-pyridine-3-carbonyl)amino]besylic acid Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6S/c1-7-8(2)12(17)16-14(19)11(7)13(18)15-9-4-3-5-10(6-9)23(20,21)22/h3-6H,1-2H3,(H,15,18)(H2,16,17,19)(H,20,21,22)