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

Systemtic Name: [4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-pyridyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-pyridin-4-yl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(4-pyridyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C19H17F3N4O4S MolecularWeight: 454.42289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F3N4O4S/c1-2-3-15(27)30-26-18(19(20,21)22)16(12-8-10-24-11-9-12)17(25-26)13-4-6-14(7-5-13)31(23,28)29/h4-11H,2-3H2,1H3,(H2,23,28,29)