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

Systemtic Name: tert-butyl 3-(4-methylsulfonyloxyphenyl)-2-[(phenylmethyl)amino]propanoate Openeye Name: tert-butyl 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 3-(4-methylsulfonyloxyphenyl)-2-[(phenylmethyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate Traditional Name: 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid tert-butyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C)NCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO5S/c1-21(2,3)26-20(23)19(22-15-17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)27-28(4,24)25/h5-13,19,22H,14-15H2,1-4H3