6-[bis(fluoranyl)methyl]-4-ethyl-5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-[bis(fluoranyl)methyl]-4-ethyl-5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(difluoromethyl)-4-ethyl-5-isopropylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(difluoromethyl)-4-ethyl-5-propan-2-ylsulfonyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(difluoromethyl)-4-ethyl-5-propan-2-ylsulfonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(difluoromethyl)-4-ethyl-5-isopropylsulfonyl-2-(trifluoromethyl)nicotinic acid Formula: C13H14F5NO4S MolecularWeight: 375.311576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1S(=O)(=O)C(C)C)C(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=C1S(=O)(=O)C(C)C)C(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14F5NO4S/c1-4-6-7(12(20)21)10(13(16,17)18)19-8(11(14)15)9(6)24(22,23)5(2)3/h5,11H,4H2,1-3H3,(H,20,21)