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

Systemtic Name: methyl 2-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: methyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)propanoate CAS Name: 3-[4-(benzenesulfonyloxy)phenyl]-2-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)propanoate Traditional Name: 2-(benzylamino)-3-(4-besyloxyphenyl)propionic acid methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-28-23(25)22(24-17-19-8-4-2-5-9-19)16-18-12-14-20(15-13-18)29-30(26,27)21-10-6-3-7-11-21/h2-15,22,24H,16-17H2,1H3