ethyl 3-(2-methylpropyl)-4-[(4-sulfamoylphenyl)diazenyl]pyrazole-1-carboxylate

Systemtic Name: ethyl 3-(2-methylpropyl)-4-[(4-sulfamoylphenyl)diazenyl]pyrazole-1-carboxylate Openeye Name: ethyl 3-isobutyl-4-(4-sulfamoylphenyl)azo-pyrazole-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-(4-sulfamoylphenyl)azo-1-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylpropyl)-4-[(4-sulfamoylphenyl)diazenyl]pyrazole-1-carboxylate Traditional Name: 3-isobutyl-4-(4-sulfamoylphenyl)azo-pyrazole-1-carboxylic acid ethyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C(=N1)CC(C)C)N=NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)N1C=C(C(=N1)CC(C)C)N=NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H21N5O4S/c1-4-25-16(22)21-10-15(14(20-21)9-11(2)3)19-18-12-5-7-13(8-6-12)26(17,23)24/h5-8,10-11H,4,9H2,1-3H3,(H2,17,23,24)