2-acetamido-5-(phenylcarbonyloxy)pentane-1-sulfonic acid

Systemtic Name: 2-acetamido-5-(phenylcarbonyloxy)pentane-1-sulfonic acid Openeye Name: 2-acetamido-5-benzoyloxy-pentane-1-sulfonic acid CAS Name: 2-acetamido-5-benzoyloxy-1-pentanesulfonic acid IUPAC Name: 2-acetamido-5-benzoyloxypentane-1-sulfonic acid Traditional Name: 2-acetamido-5-benzoyloxy-pentane-1-sulfonic acid Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCOC(=O)C1=CC=CC=C1)CS(=O)(=O)O

Isomeric SMILES

CC(=O)NC(CCCOC(=O)C1=CC=CC=C1)CS(=O)(=O)O

InChI

InChI=1S/C14H19NO6S/c1-11(16)15-13(10-22(18,19)20)8-5-9-21-14(17)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-10H2,1H3,(H,15,16)(H,18,19,20)