4-methylsulfonyl-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid Traditional Name: 2-[(6-keto-1H-pyridine-3-carbonyl)amino]-4-mesyl-butyric acid Formula: C11H14N2O6S MolecularWeight: 302.30366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CNC(=O)C=C1

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=CNC(=O)C=C1

InChI

InChI=1S/C11H14N2O6S/c1-20(18,19)5-4-8(11(16)17)13-10(15)7-2-3-9(14)12-6-7/h2-3,6,8H,4-5H2,1H3,(H,12,14)(H,13,15)(H,16,17)