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

Systemtic Name: methyl 3-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate Openeye Name: methyl 3-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate CAS Name: 3-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate Traditional Name: 3-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropionic acid methyl ester Formula: C17H17F3N2O6S MolecularWeight: 434.38689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCC(=O)OC)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCC(=O)OC)C(F)(F)F)OC

InChI

InChI=1S/C17H17F3N2O6S/c1-26-12-5-4-10(8-13(12)27-2)11-9-14(17(18,19)20)22-16(21-11)29(24,25)7-6-15(23)28-3/h4-5,8-9H,6-7H2,1-3H3