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

Systemtic Name: 2-(4-methylsulfonyloxyphenyl)-3-[(phenylmethyl)amino]propanoic acid Openeye Name: 3-(benzylamino)-2-(4-methylsulfonyloxyphenyl)propanoic acid CAS Name: 2-(4-methylsulfonyloxyphenyl)-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 3-(benzylamino)-2-(4-methylsulfonyloxyphenyl)propanoic acid Traditional Name: 3-(benzylamino)-2-(4-methylsulfonyloxyphenyl)propionic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-24(21,22)23-15-9-7-14(8-10-15)16(17(19)20)12-18-11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3,(H,19,20)