[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (2-cumidino-2-keto-ethyl) ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H26N2O5S/c1-15(2)17-6-8-18(9-7-17)23-20(24)14-28-21(25)12-13-22-29(26,27)19-10-4-16(3)5-11-19/h4-11,15,22H,12-14H2,1-3H3,(H,23,24)