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

Systemtic Name: ethyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(3-tosyloxyphenyl)propionic acid ethyl ester Formula: C26H27NO7S MolecularWeight: 497.56008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27NO7S/c1-3-32-25(28)24(27-26(29)33-18-20-8-5-4-6-9-20)17-21-10-7-11-22(16-21)34-35(30,31)23-14-12-19(2)13-15-23/h4-16,24H,3,17-18H2,1-2H3,(H,27,29)