methyl 4-bromanyl-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-bromanyl-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-bromo-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-bromo-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 4-bromo-5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C17H13BrFN3O4S MolecularWeight: 454.270223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1Br)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C1=NN(C(=C1Br)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H13BrFN3O4S/c1-26-17(23)15-14(18)16(10-2-4-11(19)5-3-10)22(21-15)12-6-8-13(9-7-12)27(20,24)25/h2-9H,1H3,(H2,20,24,25)