4-acetamido-3-(3-methylsulfonyloxyphenyl)butanoic acid

Systemtic Name: 4-acetamido-3-(3-methylsulfonyloxyphenyl)butanoic acid Openeye Name: 4-acetamido-3-(3-methylsulfonyloxyphenyl)butanoic acid CAS Name: 4-acetamido-3-(3-methylsulfonyloxyphenyl)butanoic acid IUPAC Name: 4-acetamido-3-(3-methylsulfonyloxyphenyl)butanoic acid Traditional Name: 4-acetamido-3-(3-methylsulfonyloxyphenyl)butyric acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CC(=O)O)C1=CC(=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CC(=O)NCC(CC(=O)O)C1=CC(=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H17NO6S/c1-9(15)14-8-11(7-13(16)17)10-4-3-5-12(6-10)20-21(2,18)19/h3-6,11H,7-8H2,1-2H3,(H,14,15)(H,16,17)