3-acetamido-2-[3-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-acetamido-2-[3-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 3-acetamido-2-[3-(benzenesulfonyloxy)phenyl]propanoic acid CAS Name: 3-acetamido-2-[3-(benzenesulfonyloxy)phenyl]propanoic acid IUPAC Name: 3-acetamido-2-[3-(benzenesulfonyloxy)phenyl]propanoic acid Traditional Name: 3-acetamido-2-(3-besyloxyphenyl)propionic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NCC(C1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H17NO6S/c1-12(19)18-11-16(17(20)21)13-6-5-7-14(10-13)24-25(22,23)15-8-3-2-4-9-15/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)