4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylic acid CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]piperidine-4-carboxylic acid Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[(1E)-3-methylbuta-1,3-dienyl]isonipecotic acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=CN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=C)/C=C/N1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23NO5S/c1-14(2)8-11-19-12-9-18(10-13-19,17(20)21)25(22,23)16-6-4-15(24-3)5-7-16/h4-8,11H,1,9-10,12-13H2,2-3H3,(H,20,21)/b11-8+