(1-pyridin-4-ylethenylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate

Systemtic Name: (1-pyridin-4-ylethenylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Openeye Name: [1-(4-pyridyl)vinylamino] 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate CAS Name: 4-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanoic acid (1-pyridin-4-ylethenylamino) ester IUPAC Name: (1-pyridin-4-ylethenylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Traditional Name: 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutyric acid [1-(4-pyridyl)vinylamino] ester Formula: C23H21F3N4O5S MolecularWeight: 522.49685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)ONC(=C)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)ONC(=C)C3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O5S/c1-15(16-9-11-27-12-10-16)30-35-21(31)8-5-13-36(32,33)22-28-18(14-20(29-22)23(24,25)26)17-6-3-4-7-19(17)34-2/h3-4,6-7,9-12,14,30H,1,5,8,13H2,2H3