[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-keto-2-mesidino-ethyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H25NO5S/c1-14-5-7-18(8-6-14)28(25,26)10-9-20(24)27-13-19(23)22-21-16(3)11-15(2)12-17(21)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,22,23)