2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: 2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylate IUPAC Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Formula: C19H14FN4O5S- MolecularWeight: 429.401663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(=O)[O-])F

InChI

InChI=1S/C19H15FN4O5S/c1-29-15-7-4-12(10-14(15)20)16-17(23-24(9-8-21)18(16)19(25)26)11-2-5-13(6-3-11)30(22,27)28/h2-7,10H,9H2,1H3,(H,25,26)(H2,22,27,28)/p-1