1-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]sulfonylisonipecotic acid Formula: C15H17NO6S MolecularWeight: 339.36358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C15H17NO6S/c17-14(18)6-3-11-1-4-13(5-2-11)23(21,22)16-9-7-12(8-10-16)15(19)20/h1-6,12H,7-10H2,(H,17,18)(H,19,20)/b6-3+