4-(3-fluoranyl-4-methoxy-phenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(3-fluoro-4-methoxyphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C20H18FN3O5S MolecularWeight: 431.437423

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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)O)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)O)F

InChI

InChI=1S/C20H18FN3O5S/c1-3-10-24-19(20(25)26)17(13-6-9-16(29-2)15(21)11-13)18(23-24)12-4-7-14(8-5-12)30(22,27)28/h3-9,11H,1,10H2,2H3,(H,25,26)(H2,22,27,28)