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

Systemtic Name: methyl 4-(3-fluoranyl-4-methoxy-phenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-(3-fluoro-4-methoxyphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-fluoro-4-methoxyphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H20FN3O5S MolecularWeight: 445.464003

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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=C)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=C)C(=O)OC)F

InChI

InChI=1S/C21H20FN3O5S/c1-4-11-25-20(21(26)30-3)18(14-7-10-17(29-2)16(22)12-14)19(24-25)13-5-8-15(9-6-13)31(23,27)28/h4-10,12H,1,11H2,2-3H3,(H2,23,27,28)