[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl)C

InChI

InChI=1S/C18H18ClNO5S/c1-10-6-11(2)17(12(3)7-10)16(21)9-25-18(22)14-8-13(26(20,23)24)4-5-15(14)19/h4-8H,9H2,1-3H3,(H2,20,23,24)