1-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-fluoro-3-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-fluoro-3-piperidinosulfonyl-benzoyl)isonipecotic acid Formula: C18H23FN2O5S MolecularWeight: 398.449023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)O)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C18H23FN2O5S/c19-15-5-4-14(17(22)20-10-6-13(7-11-20)18(23)24)12-16(15)27(25,26)21-8-2-1-3-9-21/h4-5,12-13H,1-3,6-11H2,(H,23,24)