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

Systemtic Name: 1-[2,3-dimethoxy-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]-2,3-dimethoxy-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dimethoxyphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-[(E)-3-hydroxy-3-oxoprop-1-enyl]-2,3-dimethoxyphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[5-[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,3-dimethoxy-phenyl]sulfonylisonipecotic acid Formula: C17H21NO8S MolecularWeight: 399.41554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO8S/c1-25-13-9-11(3-4-15(19)20)10-14(16(13)26-2)27(23,24)18-7-5-12(6-8-18)17(21)22/h3-4,9-10,12H,5-8H2,1-2H3,(H,19,20)(H,21,22)/b4-3+