[1-ethyl-4-methyl-2-oxidanyl-6-oxidanylidene-5-(phenylsulfonyl)pyridin-3-yl]methanesulfonic acid

Systemtic Name: [1-ethyl-4-methyl-2-oxidanyl-6-oxidanylidene-5-(phenylsulfonyl)pyridin-3-yl]methanesulfonic acid Openeye Name: [5-(benzenesulfonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl]methanesulfonic acid CAS Name: [5-(benzenesulfonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]methanesulfonic acid IUPAC Name: [5-(benzenesulfonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxopyridin-3-yl]methanesulfonic acid Traditional Name: (5-besyl-1-ethyl-2-hydroxy-6-keto-4-methyl-3-pyridyl)methanesulfonic acid Formula: C15H17NO7S2 MolecularWeight: 387.42798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C(C1=O)S(=O)(=O)C2=CC=CC=C2)C)CS(=O)(=O)O)O

Isomeric SMILES

CCN1C(=C(C(=C(C1=O)S(=O)(=O)C2=CC=CC=C2)C)CS(=O)(=O)O)O

InChI

InChI=1S/C15H17NO7S2/c1-3-16-14(17)12(9-24(19,20)21)10(2)13(15(16)18)25(22,23)11-7-5-4-6-8-11/h4-8,17H,3,9H2,1-2H3,(H,19,20,21)