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

Systemtic Name: 2-ethyl-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-ethyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 2-ethyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-ethyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C19H18FN3O5S MolecularWeight: 419.426723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)C(=O)O

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)C(=O)O

InChI

InChI=1S/C19H18FN3O5S/c1-3-23-18(19(24)25)16(12-6-9-15(28-2)14(20)10-12)17(22-23)11-4-7-13(8-5-11)29(21,26)27/h4-10H,3H2,1-2H3,(H,24,25)(H2,21,26,27)