[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN4O5S/c1-14-19(20(22)26(25-14)16-5-3-2-4-6-16)21(28)31-13-18(27)24-12-11-15-7-9-17(10-8-15)32(23,29)30/h2-10H,11-13H2,1H3,(H,24,27)(H2,23,29,30)