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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-chloranyl-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 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 (2-keto-3,3-dimethyl-butyl) ester Formula: C25H28ClN3O6S MolecularWeight: 534.02432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H28ClN3O6S/c1-16-22(23(31)29(27(16)5)17-10-8-7-9-11-17)28(6)36(33,34)18-12-13-20(26)19(14-18)24(32)35-15-21(30)25(2,3)4/h7-14H,15H2,1-6H3