[2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-2-[1-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5S/c1-15(17-7-9-19(10-8-17)31(22,28)29)24-20(26)14-30-21(27)18-11-23-25(13-18)12-16-5-3-2-4-6-16/h2-11,13,15H,12,14H2,1H3,(H,24,26)(H2,22,28,29)