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

Systemtic Name: 1-[4-methoxy-3-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(3-hydroxy-3-oxo-prop-1-enyl)-4-methoxy-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-(3-hydroxy-3-oxoprop-1-enyl)-4-methoxyphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(3-hydroxy-3-oxoprop-1-enyl)-4-methoxyphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(3-hydroxy-3-keto-prop-1-enyl)-4-methoxy-phenyl]sulfonylisonipecotic acid Formula: C16H19NO7S MolecularWeight: 369.38956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C=CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C=CC(=O)O

InChI

InChI=1S/C16H19NO7S/c1-24-14-4-3-13(10-12(14)2-5-15(18)19)25(22,23)17-8-6-11(7-9-17)16(20)21/h2-5,10-11H,6-9H2,1H3,(H,18,19)(H,20,21)