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

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)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)OC(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)C)Cl

InChI

InChI=1S/C21H21ClN4O5S/c1-12-19(22)13(2)26(25-12)17-9-7-15(8-10-17)21(28)31-14(3)20(27)24-16-5-4-6-18(11-16)32(23,29)30/h4-11,14H,1-3H3,(H,24,27)(H2,23,29,30)