1-(4-fluoranyl-3-morpholin-4-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-fluoranyl-3-morpholin-4-ylcarbonyl-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[4-fluoro-3-[4-morpholinyl(oxo)methyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]sulfonylisonipecotic acid Formula: C17H21FN2O6S MolecularWeight: 400.421843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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