ethyl 1-(2,4-dimethylphenyl)-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2,4-dimethylphenyl)-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,4-dimethylphenyl)-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]pyrazole-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dimethylphenyl)-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)-5-[[2-(4-sulfamoylphenyl)ethylamino]methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)C)C)CNCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)C)C)CNCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H28N4O4S/c1-4-31-23(28)20-14-26-27(21-10-5-16(2)13-17(21)3)22(20)15-25-12-11-18-6-8-19(9-7-18)32(24,29)30/h5-10,13-14,25H,4,11-12,15H2,1-3H3,(H2,24,29,30)