tert-butyl 2-methyl-4-pyridin-4-yl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: tert-butyl 2-methyl-4-pyridin-4-yl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: tert-butyl 2-methyl-4-(4-pyridyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 2-methyl-4-pyridin-4-yl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-methyl-4-pyridin-4-yl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-methyl-4-(4-pyridyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid tert-butyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=NN1C)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=NN1C)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4O4S/c1-20(2,3)28-19(25)18-16(13-9-11-22-12-10-13)17(23-24(18)4)14-5-7-15(8-6-14)29(21,26)27/h5-12H,1-4H3,(H2,21,26,27)