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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(CNCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H21NO5S/c1-25(22,23)24-17-9-7-14(8-10-17)11-16(18(20)21)13-19-12-15-5-3-2-4-6-15/h2-10,16,19H,11-13H2,1H3,(H,20,21)