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

Systemtic Name: 2-[5-aminocarbonyl-4-methyl-2-oxidanyl-6-oxidanylidene-3-(sulfomethyl)pyridin-1-yl]ethanesulfonic acid Openeye Name: 2-[5-carbamoyl-2-hydroxy-4-methyl-6-oxo-3-(sulfomethyl)-1-pyridyl]ethanesulfonic acid CAS Name: 2-[5-carbamoyl-2-hydroxy-4-methyl-6-oxo-3-(sulfomethyl)-1-pyridinyl]ethanesulfonic acid IUPAC Name: 2-[5-carbamoyl-2-hydroxy-4-methyl-6-oxo-3-(sulfomethyl)pyridin-1-yl]ethanesulfonic acid Traditional Name: 2-[5-carbamoyl-2-hydroxy-6-keto-4-methyl-3-(sulfomethyl)-1-pyridyl]ethanesulfonic acid Formula: C10H14N2O9S2 MolecularWeight: 370.35616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1CS(=O)(=O)O)O)CCS(=O)(=O)O)C(=O)N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1CS(=O)(=O)O)O)CCS(=O)(=O)O)C(=O)N

InChI

InChI=1S/C10H14N2O9S2/c1-5-6(4-23(19,20)21)9(14)12(2-3-22(16,17)18)10(15)7(5)8(11)13/h14H,2-4H2,1H3,(H2,11,13)(H,16,17,18)(H,19,20,21)