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

Systemtic Name: [3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] propanoate Openeye Name: [3-(4-pyridyl)-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] propanoate CAS Name: propanoic acid [3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] propanoate Traditional Name: propionic acid [3-(4-pyridyl)-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N4O4S/c1-2-14(26)29-25-17(18(19,20)21)15(16(24-25)12-7-9-23-10-8-12)11-3-5-13(6-4-11)30(22,27)28/h3-10H,2H2,1H3,(H2,22,27,28)