1-[3-(4-fluoranylphenoxy)propylsulfonyl]-2-(oxidanylcarbamoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(4-fluoranylphenoxy)propylsulfonyl]-2-(oxidanylcarbamoyl)piperidine-4-carboxylic acid Openeye Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-2-(hydroxycarbamoyl)piperidine-4-carboxylic acid CAS Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-2-[(hydroxyamino)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-2-(hydroxycarbamoyl)piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-2-(hydroxycarbamoyl)isonipecotic acid Formula: C16H21FN2O7S MolecularWeight: 404.410543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)CCCOC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)CCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C16H21FN2O7S/c17-12-2-4-13(5-3-12)26-8-1-9-27(24,25)19-7-6-11(16(21)22)10-14(19)15(20)18-23/h2-5,11,14,23H,1,6-10H2,(H,18,20)(H,21,22)