3-acetamido-3-[4-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-acetamido-3-[4-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 3-acetamido-3-[4-(benzenesulfonyloxy)phenyl]propanoic acid CAS Name: 3-acetamido-3-[4-(benzenesulfonyloxy)phenyl]propanoic acid IUPAC Name: 3-acetamido-3-[4-(benzenesulfonyloxy)phenyl]propanoic acid Traditional Name: 3-acetamido-3-(4-besyloxyphenyl)propionic acid Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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