6-[bis(fluoranyl)methyl]-5-ethylsulfonyl-4-(2-methylpropyl)pyridine-3-carboxylic acid

Systemtic Name: 6-[bis(fluoranyl)methyl]-5-ethylsulfonyl-4-(2-methylpropyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-5-ethylsulfonyl-4-isobutyl-pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-5-ethylsulfonyl-4-(2-methylpropyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-5-ethylsulfonyl-4-(2-methylpropyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-5-esyl-4-isobutyl-nicotinic acid Formula: C13H17F2NO4S MolecularWeight: 321.340186

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=CN=C1C(F)F)C(=O)O)CC(C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=CN=C1C(F)F)C(=O)O)CC(C)C

InChI

InChI=1S/C13H17F2NO4S/c1-4-21(19,20)11-8(5-7(2)3)9(13(17)18)6-16-10(11)12(14)15/h6-7,12H,4-5H2,1-3H3,(H,17,18)