methyl 3-[[2-methyl-3-(4-methylphenyl)sulfonyloxy-2-oxidanyl-propyl]-(phenylmethyl)amino]propanoate

Systemtic Name: methyl 3-[[2-methyl-3-(4-methylphenyl)sulfonyloxy-2-oxidanyl-propyl]-(phenylmethyl)amino]propanoate Openeye Name: methyl 3-[benzyl-[2-hydroxy-2-methyl-3-(p-tolylsulfonyloxy)propyl]amino]propanoate CAS Name: 3-[[2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyloxypropyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[benzyl-[2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyloxypropyl]amino]propanoate Traditional Name: 3-[benzyl-(2-hydroxy-2-methyl-3-tosyloxy-propyl)amino]propionic acid methyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CN(CCC(=O)OC)CC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CN(CCC(=O)OC)CC2=CC=CC=C2)O

InChI

InChI=1S/C22H29NO6S/c1-18-9-11-20(12-10-18)30(26,27)29-17-22(2,25)16-23(14-13-21(24)28-3)15-19-7-5-4-6-8-19/h4-12,25H,13-17H2,1-3H3