5-ethylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethylsulfonyl-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-esyl-2,6-dimethyl-4-[3-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)OC(F)(F)F)C(=O)O)C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)OC(F)(F)F)C(=O)O)C)C

InChI

InChI=1S/C17H18F3NO5S/c1-4-27(24,25)15-10(3)21-9(2)13(16(22)23)14(15)11-6-5-7-12(8-11)26-17(18,19)20/h5-8,14,21H,4H2,1-3H3,(H,22,23)