[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C)C

InChI

InChI=1S/C21H25NO5S/c1-13-9-14(2)19(15(3)10-13)22-20(23)16(4)27-21(24)18-8-6-7-17(11-18)12-28(5,25)26/h6-11,16H,12H2,1-5H3,(H,22,23)