1-(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-fluoro-5-morpholinosulfonyl-benzoyl)piperidine-4-carboxylic acid CAS Name: 1-[[2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-fluoro-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-fluoro-5-morpholinosulfonyl-benzoyl)isonipecotic acid Formula: C17H21FN2O6S MolecularWeight: 400.421843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C17H21FN2O6S/c18-15-2-1-13(27(24,25)20-7-9-26-10-8-20)11-14(15)16(21)19-5-3-12(4-6-19)17(22)23/h1-2,11-12H,3-10H2,(H,22,23)