[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-1-methyl-2-(1-phenylethylamino)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)CCC(=O)OC(C)C(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO5S/c1-15-9-11-19(12-10-15)28(25,26)14-13-20(23)27-17(3)21(24)22-16(2)18-7-5-4-6-8-18/h4-12,16-17H,13-14H2,1-3H3,(H,22,24)