methyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(3-tosyloxyphenyl)propionic acid methyl ester Formula: C25H25NO7S MolecularWeight: 483.5335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO7S/c1-18-11-13-22(14-12-18)34(29,30)33-21-10-6-9-20(15-21)16-23(24(27)31-2)26-25(28)32-17-19-7-4-3-5-8-19/h3-15,23H,16-17H2,1-2H3,(H,26,28)