5-(3-bromanyl-4-methoxy-phenyl)-4-chloranyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(3-bromanyl-4-methoxy-phenyl)-4-chloranyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(3-bromo-4-methoxy-phenyl)-4-chloro-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 5-(3-bromo-4-methoxyphenyl)-4-chloro-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(3-bromo-4-methoxyphenyl)-4-chloro-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(3-bromo-4-methoxy-phenyl)-4-chloro-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C17H13BrClN3O5S MolecularWeight: 486.72422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)Cl)Br

InChI

InChI=1S/C17H13BrClN3O5S/c1-27-13-7-2-9(8-12(13)18)16-14(19)15(17(23)24)21-22(16)10-3-5-11(6-4-10)28(20,25)26/h2-8H,1H3,(H,23,24)(H2,20,25,26)