ethyl 5-(4-tert-butylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-tert-butylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-tert-butylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylate CAS Name: 5-(4-tert-butylphenyl)-2-(2-nitro-4-sulfamoylphenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-tert-butylphenyl)-2-(2-nitro-4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-2-(2-nitro-4-sulfamoyl-phenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H24N4O6S/c1-5-32-21(27)20-13-17(14-6-8-15(9-7-14)22(2,3)4)24-25(20)18-11-10-16(33(23,30)31)12-19(18)26(28)29/h6-13H,5H2,1-4H3,(H2,23,30,31)