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

Systemtic Name: 1-[3-(4-fluoranylphenoxy)propylsulfonyl]-2-(phenylmethoxycarbamoyl)piperidine-4-carboxylic acid Openeye Name: 2-(benzyloxycarbamoyl)-1-[3-(4-fluorophenoxy)propylsulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-2-[oxo-(phenylmethoxyamino)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-2-(phenylmethoxycarbamoyl)piperidine-4-carboxylic acid Traditional Name: 2-(benzoxycarbamoyl)-1-[3-(4-fluorophenoxy)propylsulfonyl]isonipecotic acid Formula: C23H27FN2O7S MolecularWeight: 494.533083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)C(=O)NOCC2=CC=CC=C2)S(=O)(=O)CCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C(CC1C(=O)O)C(=O)NOCC2=CC=CC=C2)S(=O)(=O)CCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O7S/c24-19-7-9-20(10-8-19)32-13-4-14-34(30,31)26-12-11-18(23(28)29)15-21(26)22(27)25-33-16-17-5-2-1-3-6-17/h1-3,5-10,18,21H,4,11-16H2,(H,25,27)(H,28,29)