methyl 2-[3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: methyl 2-[3-(4-pyridyl)-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-pyridin-4-yl-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-pyridyl)-4-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid methyl ester Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

COC(=O)CN1C(=C(C(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C18H15F3N4O4S/c1-29-14(26)10-25-17(18(19,20)21)15(16(24-25)12-6-8-23-9-7-12)11-2-4-13(5-3-11)30(22,27)28/h2-9H,10H2,1H3,(H2,22,27,28)