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

Systemtic Name: methyl 3-(4-methylsulfonyloxyphenyl)-2-[(phenylmethyl)amino]propanoate Openeye Name: methyl 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 3-(4-methylsulfonyloxyphenyl)-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate Traditional Name: 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid methyl ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5S/c1-23-18(20)17(19-13-15-6-4-3-5-7-15)12-14-8-10-16(11-9-14)24-25(2,21)22/h3-11,17,19H,12-13H2,1-2H3