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

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate CAS Name: 4-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanoate IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutyrate Formula: C17H16F3N2O6S- MolecularWeight: 433.37895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)[O-])C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C17H17F3N2O6S/c1-27-12-6-5-10(8-13(12)28-2)11-9-14(17(18,19)20)22-16(21-11)29(25,26)7-3-4-15(23)24/h5-6,8-9H,3-4,7H2,1-2H3,(H,23,24)/p-1