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

Systemtic Name: (phenylmethyl) 3-(4-methylsulfonyloxyphenyl)-2-[(phenylmethyl)amino]propanoate Openeye Name: benzyl 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 3-(4-methylsulfonyloxyphenyl)-2-[(phenylmethyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propanoate Traditional Name: 2-(benzylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid benzyl ester Formula: C24H25NO5S MolecularWeight: 439.524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO5S/c1-31(27,28)30-22-14-12-19(13-15-22)16-23(25-17-20-8-4-2-5-9-20)24(26)29-18-21-10-6-3-7-11-21/h2-15,23,25H,16-18H2,1H3