1-[2-methyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-methyl-5-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methylphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2-methylphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2-methyl-phenyl]sulfonylisonipecotic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H19NO6S/c1-11-2-3-12(4-5-15(18)19)10-14(11)24(22,23)17-8-6-13(7-9-17)16(20)21/h2-5,10,13H,6-9H2,1H3,(H,18,19)(H,20,21)/b5-4+