(phenylmethyl) 3-(4-methylphenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(4-methylphenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate Openeye Name: benzyl 2-(3-phenylpropanoylamino)-3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonyl-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(4-methylphenyl)sulfonyl-2-(3-phenylpropanoylamino)propanoate Traditional Name: 2-(hydrocinnamoylamino)-3-tosyl-propionic acid benzyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO5S/c1-20-12-15-23(16-13-20)33(30,31)19-24(26(29)32-18-22-10-6-3-7-11-22)27-25(28)17-14-21-8-4-2-5-9-21/h2-13,15-16,24H,14,17-19H2,1H3,(H,27,28)