[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] butanoate

Systemtic Name: [4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-methylsulfonylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(4-mesylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCCC(=O)ON1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O4S/c1-3-4-16(27)30-26-19(20(21,22)23)17(18(25-26)14-9-11-24-12-10-14)13-5-7-15(8-6-13)31(2,28)29/h5-12H,3-4H2,1-2H3