[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl] ester Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C)Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-13-20(22)14(2)26(25-13)17-7-5-16(6-8-17)21(28)31-12-19(27)24-11-15-3-9-18(10-4-15)32(23,29)30/h3-10H,11-12H2,1-2H3,(H,24,27)(H2,23,29,30)