1-(5-aminocarbonyl-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)ethanesulfonic acid

Systemtic Name: 1-(5-aminocarbonyl-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl)ethanesulfonic acid Openeye Name: 1-(5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)ethanesulfonic acid CAS Name: 1-(5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)ethanesulfonic acid IUPAC Name: 1-(5-carbamoyl-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl)ethanesulfonic acid Traditional Name: 1-(5-carbamoyl-2-hydroxy-6-keto-4-methyl-1H-pyridin-3-yl)ethanesulfonic acid Formula: C9H12N2O6S MolecularWeight: 276.26638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1C(C)S(=O)(=O)O)O)C(=O)N

Isomeric SMILES

CC1=C(C(=O)NC(=C1C(C)S(=O)(=O)O)O)C(=O)N

InChI

InChI=1S/C9H12N2O6S/c1-3-5(4(2)18(15,16)17)8(13)11-9(14)6(3)7(10)12/h4H,1-2H3,(H2,10,12)(H2,11,13,14)(H,15,16,17)