methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate

Systemtic Name: methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate Openeye Name: methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate CAS Name: 3-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate Traditional Name: 3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropionic acid methyl ester Formula: C15H13F3N2O4S MolecularWeight: 374.33493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCS(=O)(=O)C1=NC(=CC(=N1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C15H13F3N2O4S/c1-24-13(21)7-8-25(22,23)14-19-11(10-5-3-2-4-6-10)9-12(20-14)15(16,17)18/h2-6,9H,7-8H2,1H3