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

Systemtic Name: 3-[(4-methylsulfonyloxyphenyl)methyl]-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-[(benzylamino)methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid CAS Name: 3-[(4-methylsulfonyloxyphenyl)methyl]-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-[(benzylamino)methyl]-4-(4-methylsulfonyloxyphenyl)butanoic acid Traditional Name: 3-[(benzylamino)methyl]-4-(4-methylsulfonyloxyphenyl)butyric acid Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S/c1-26(23,24)25-18-9-7-15(8-10-18)11-17(12-19(21)22)14-20-13-16-5-3-2-4-6-16/h2-10,17,20H,11-14H2,1H3,(H,21,22)