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

Systemtic Name: (phenylmethyl) 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(3-tosyloxyphenyl)propionic acid benzyl ester Formula: C31H29NO7S MolecularWeight: 559.62946

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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)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H29NO7S/c1-23-15-17-28(18-16-23)40(35,36)39-27-14-8-13-26(19-27)20-29(30(33)37-21-24-9-4-2-5-10-24)32-31(34)38-22-25-11-6-3-7-12-25/h2-19,29H,20-22H2,1H3,(H,32,34)