[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-16-8-10-19(11-9-16)29(26,27)23-15-13-20(24)28-17(2)21(25)22-14-12-18-6-4-3-5-7-18/h3-11,17,23H,12-15H2,1-2H3,(H,22,25)