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

Systemtic Name: 4-(4-methylsulfonyloxyphenyl)-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-(4-methylsulfonyloxyphenyl)butanoic acid CAS Name: 4-(4-methylsulfonyloxyphenyl)-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-(4-methylsulfonyloxyphenyl)butanoic acid Traditional Name: 3-(benzylamino)-4-(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)CC(CC(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(CC(=O)O)NCC2=CC=CC=C2

InChI

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