3-[(4-methylsulfonyloxyphenyl)methyl]-4-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 3-[(4-methylsulfonyloxyphenyl)methyl]-4-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylaminomethyl)-4-(4-methylsulfonyloxyphenyl)butanoic acid CAS Name: 3-[(4-methylsulfonyloxyphenyl)methyl]-4-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 3-[(4-methylsulfonyloxyphenyl)methyl]-4-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylaminomethyl)-4-(4-methylsulfonyloxyphenyl)butyric acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CC(CC(=O)O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CC(CC(=O)O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO7S/c1-29(25,26)28-18-9-7-15(8-10-18)11-17(12-19(22)23)13-21-20(24)27-14-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,21,24)(H,22,23)