tert-butyl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: tert-butyl 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: tert-butyl 2-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-tosyloxyphenyl)propionic acid tert-butyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)OC(C)(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)OC(C)(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO5S/c1-20-10-16-24(17-11-20)34(30,31)33-23-14-12-21(13-15-23)18-25(26(29)32-27(2,3)4)28-19-22-8-6-5-7-9-22/h5-17,25,28H,18-19H2,1-4H3