[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14-11-15(2)20(16(3)12-14)19(24)13-28-21(25)17-5-7-18(8-6-17)29(26,27)23-10-4-9-22/h5-8,11-12,23H,4,10,13H2,1-3H3