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

Systemtic Name: tert-butyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: tert-butyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-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=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

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

InChI

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