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

Systemtic Name: 6-[bis(fluoranyl)methyl]-5-tert-butylsulfonyl-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-tert-butylsulfonyl-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)nicotinic acid Formula: C14H16F5NO4S MolecularWeight: 389.338156

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H16F5NO4S/c1-5-6-7(12(21)22)10(14(17,18)19)20-8(11(15)16)9(6)25(23,24)13(2,3)4/h11H,5H2,1-4H3,(H,21,22)