(phenylmethyl) 2-[[2-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-[(4-methylphenyl)sulfonylmethyl]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-benzyl-3-(p-tolylsulfonyl)propanoyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylmethyl]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-benzyl-3-(4-methylphenyl)sulfonylpropanoyl]amino]acetate Traditional Name: 2-[(2-benzyl-3-tosyl-propanoyl)amino]acetic 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(CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

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