(2-oxidanylidene-2-phenylazanyl-ethyl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid (2-anilino-2-keto-ethyl) ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-14(2)19(22-28(25,26)17-11-9-15(3)10-12-17)20(24)27-13-18(23)21-16-7-5-4-6-8-16/h4-12,14,19,22H,13H2,1-3H3,(H,21,23)