propan-2-yl 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: propan-2-yl 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: isopropyl 2-(benzyloxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid isopropyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-15(2)28-20(23)19(22-21(24)27-14-17-7-5-4-6-8-17)13-16-9-11-18(12-10-16)29-30(3,25)26/h4-12,15,19H,13-14H2,1-3H3,(H,22,24)