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

Systemtic Name: methyl 2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 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-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C20H17FN4O5S MolecularWeight: 444.436183

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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)OC)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)OC)F

InChI

InChI=1S/C20H17FN4O5S/c1-29-16-8-5-13(11-15(16)21)17-18(12-3-6-14(7-4-12)31(23,27)28)24-25(10-9-22)19(17)20(26)30-2/h3-8,11H,10H2,1-2H3,(H2,23,27,28)