(4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 4-chloro-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C31H34ClN3O5S MolecularWeight: 596.13676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)C(C)(C)C

InChI

InChI=1S/C31H34ClN3O5S/c1-19-15-23(31(4,5)6)16-20(2)25(19)18-40-30(37)22-13-14-26(32)27(17-22)41(38,39)33-28-21(3)34(7)35(29(28)36)24-11-9-8-10-12-24/h8-17,33H,18H2,1-7H3