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

Systemtic Name: (5-aminocarbonyl-1-butyl-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl)methanesulfonic acid Openeye Name: (1-butyl-5-carbamoyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl)methanesulfonic acid CAS Name: (1-butyl-5-carbamoyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methanesulfonic acid IUPAC Name: (1-butyl-5-carbamoyl-2-hydroxy-4-methyl-6-oxopyridin-3-yl)methanesulfonic acid Traditional Name: (1-butyl-5-carbamoyl-2-hydroxy-6-keto-4-methyl-3-pyridyl)methanesulfonic acid Formula: C12H18N2O6S MolecularWeight: 318.34612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C(C1=O)C(=O)N)C)CS(=O)(=O)O)O

Isomeric SMILES

CCCCN1C(=C(C(=C(C1=O)C(=O)N)C)CS(=O)(=O)O)O

InChI

InChI=1S/C12H18N2O6S/c1-3-4-5-14-11(16)8(6-21(18,19)20)7(2)9(10(13)15)12(14)17/h16H,3-6H2,1-2H3,(H2,13,15)(H,18,19,20)