2-[5-(2-carboxyphenyl)-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid

Systemtic Name: 2-[5-(2-carboxyphenyl)-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid Openeye Name: 2-[5-(2-carboxyphenyl)-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid CAS Name: 2-[5-(2-carboxyphenyl)-2-(4-sulfamoylphenyl)-3-pyrazolyl]benzoic acid IUPAC Name: 2-[5-(2-carboxyphenyl)-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid Traditional Name: 2-[5-(2-carboxyphenyl)-2-(4-sulfamoylphenyl)pyrazol-3-yl]benzoic acid Formula: C23H17N3O6S MolecularWeight: 463.46258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C23H17N3O6S/c24-33(31,32)15-11-9-14(10-12-15)26-21(17-6-2-4-8-19(17)23(29)30)13-20(25-26)16-5-1-3-7-18(16)22(27)28/h1-13H,(H,27,28)(H,29,30)(H2,24,31,32)