tert-butyl 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid tert-butyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO7S/c1-22(2,3)29-20(24)19(23-21(25)28-15-17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)30-31(4,26)27/h5-13,19H,14-15H2,1-4H3,(H,23,25)