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

Systemtic Name: (phenylmethyl) 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Openeye Name: benzyl 2-acetamido-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-acetamido-3-(3-tosyloxyphenyl)propionic acid benzyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO6S/c1-18-11-13-23(14-12-18)33(29,30)32-22-10-6-9-21(15-22)16-24(26-19(2)27)25(28)31-17-20-7-4-3-5-8-20/h3-15,24H,16-17H2,1-2H3,(H,26,27)