[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C)C

InChI

InChI=1S/C19H20ClNO5S/c1-10-7-12(3)15(8-11(10)2)18(22)13(4)26-19(23)14-5-6-16(20)17(9-14)27(21,24)25/h5-9,13H,1-4H3,(H2,21,24,25)