2-[(2-methoxypyridin-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(2-methoxypyridin-3-yl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(2-methoxypyridine-3-carbonyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(2-methoxy-3-pyridinyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(2-methoxypyridine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 4-mesyl-2-[(2-methoxynicotinoyl)amino]butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C12H16N2O6S/c1-20-11-8(4-3-6-13-11)10(15)14-9(12(16)17)5-7-21(2,18)19/h3-4,6,9H,5,7H2,1-2H3,(H,14,15)(H,16,17)