[1-(2-acetamidoethyl)-3-cyano-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid

Systemtic Name: [1-(2-acetamidoethyl)-3-cyano-2-oxidanyl-6-oxidanylidene-pyridin-4-yl]methanesulfonic acid Openeye Name: [1-(2-acetamidoethyl)-3-cyano-2-hydroxy-6-oxo-4-pyridyl]methanesulfonic acid CAS Name: [1-(2-acetamidoethyl)-3-cyano-2-hydroxy-6-oxo-4-pyridinyl]methanesulfonic acid IUPAC Name: [1-(2-acetamidoethyl)-3-cyano-2-hydroxy-6-oxopyridin-4-yl]methanesulfonic acid Traditional Name: [1-(2-acetamidoethyl)-3-cyano-2-hydroxy-6-keto-4-pyridyl]methanesulfonic acid Formula: C11H13N3O6S MolecularWeight: 315.30242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C(=O)C=C(C(=C1O)C#N)CS(=O)(=O)O

Isomeric SMILES

CC(=O)NCCN1C(=O)C=C(C(=C1O)C#N)CS(=O)(=O)O

InChI

InChI=1S/C11H13N3O6S/c1-7(15)13-2-3-14-10(16)4-8(6-21(18,19)20)9(5-12)11(14)17/h4,17H,2-3,6H2,1H3,(H,13,15)(H,18,19,20)