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

Systemtic Name: 2-methylpropyl 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate Openeye Name: isobutyl 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-sulfamoyl]benzoate CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylsulfamoyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-sulfamoyl]benzoic acid isobutyl ester Formula: C23H26ClN3O5S MolecularWeight: 491.98764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5S/c1-15(2)14-32-23(29)17-11-12-19(24)20(13-17)33(30,31)26(5)21-16(3)25(4)27(22(21)28)18-9-7-6-8-10-18/h6-13,15H,14H2,1-5H3