[(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-ethylsulfonylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 2-ethylsulfonylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [(1R)-2-keto-2-mesidino-1-methyl-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H25NO5S/c1-6-28(25,26)18-10-8-7-9-17(18)21(24)27-16(5)20(23)22-19-14(3)11-13(2)12-15(19)4/h7-12,16H,6H2,1-5H3,(H,22,23)/t16-/m1/s1