1-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]-4,6-dimethyl-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]-4,6-dimethyl-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]-4,6-dimethyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]-4,6-dimethyl-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid Traditional Name: 1-[2,4-dimethyl-5-(triflylamino)phenyl]-2-keto-4,6-dimethyl-nicotinic acid Formula: C17H17F3N2O5S MolecularWeight: 418.38749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C(=CC(=C(C2=O)C(=O)O)C)C)NS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1N2C(=CC(=C(C2=O)C(=O)O)C)C)NS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C17H17F3N2O5S/c1-8-5-9(2)13(7-12(8)21-28(26,27)17(18,19)20)22-11(4)6-10(3)14(15(22)23)16(24)25/h5-7,21H,1-4H3,(H,24,25)