3-(4-methylsulfonyloxyphenyl)-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 3-(4-methylsulfonyloxyphenyl)-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-3-(4-methylsulfonyloxyphenyl)butanoic acid CAS Name: 3-(4-methylsulfonyloxyphenyl)-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-3-(4-methylsulfonyloxyphenyl)butanoic acid Traditional Name: 4-(benzylamino)-3-(4-methylsulfonyloxyphenyl)butyric acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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