[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

InChI

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