(cyclohexen-1-ylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate

Systemtic Name: (cyclohexen-1-ylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Openeye Name: (cyclohexen-1-ylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate CAS Name: 4-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanoic acid (1-cyclohexenylamino) ester IUPAC Name: (cyclohexen-1-ylamino) 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Traditional Name: 4-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutyric acid (cyclohexen-1-ylamino) ester Formula: C22H24F3N3O5S MolecularWeight: 499.50327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)ONC3=CCCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)S(=O)(=O)CCCC(=O)ONC3=CCCCC3)C(F)(F)F

InChI

InChI=1S/C22H24F3N3O5S/c1-32-18-11-6-5-10-16(18)17-14-19(22(23,24)25)27-21(26-17)34(30,31)13-7-12-20(29)33-28-15-8-3-2-4-9-15/h5-6,8,10-11,14,28H,2-4,7,9,12-13H2,1H3