(phenylmethyl) 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[methyl(tosyl)amino]acetyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-20-13-15-23(16-14-20)34(31,32)28(2)18-25(29)27-24(17-21-9-5-3-6-10-21)26(30)33-19-22-11-7-4-8-12-22/h3-16,24H,17-19H2,1-2H3,(H,27,29)