2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-[3-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-(3-tosyloxyphenyl)propionic acid Formula: C24H23NO7S MolecularWeight: 469.50692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO7S/c1-17-10-12-21(13-11-17)33(29,30)32-20-9-5-8-19(14-20)22(23(26)27)15-25-24(28)31-16-18-6-3-2-4-7-18/h2-14,22H,15-16H2,1H3,(H,25,28)(H,26,27)