ethyl 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: ethyl 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 2-chloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid ethyl ester Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5S/c1-5-30-21(27)17-13-16(11-12-18(17)22)31(28,29)24(4)19-14(2)23(3)25(20(19)26)15-9-7-6-8-10-15/h6-13H,5H2,1-4H3