tert-butyl 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: tert-butyl 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: tert-butyl 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate CAS Name: 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylic acid tert-butyl ester Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O4S/c1-20(2,3)28-19(25)18-16(12-4-8-14(21)9-5-12)17(23-24-18)13-6-10-15(11-7-13)29(22,26)27/h4-11H,1-3H3,(H,23,24)(H2,22,26,27)