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

Systemtic Name: 3-[(3-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)methyl]benzenesulfonic acid Openeye Name: 3-[(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridyl)methyl]benzenesulfonic acid CAS Name: 3-[(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)methyl]benzenesulfonic acid IUPAC Name: 3-[(3-cyano-2-hydroxy-4-methyl-6-oxopyridin-1-yl)methyl]benzenesulfonic acid Traditional Name: 3-[(3-cyano-2-hydroxy-6-keto-4-methyl-1-pyridyl)methyl]besylic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1C#N)O)CC2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(C(=C1C#N)O)CC2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O5S/c1-9-5-13(17)16(14(18)12(9)7-15)8-10-3-2-4-11(6-10)22(19,20)21/h2-6,18H,8H2,1H3,(H,19,20,21)