4-[(4-fluorophenyl)methoxy]-2-(oxidanylcarbamoyl)-1-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-fluorophenyl)methoxy]-2-(oxidanylcarbamoyl)-1-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2-(hydroxycarbamoyl)piperidine-4-carboxylic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2-[(hydroxyamino)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-fluorophenyl)methoxy]-2-(hydroxycarbamoyl)piperidine-4-carboxylic acid Traditional Name: 1-besyl-4-(4-fluorobenzyl)oxy-2-(hydroxycarbamoyl)isonipecotic acid Formula: C20H21FN2O7S MolecularWeight: 452.453343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1(C(=O)O)OCC2=CC=C(C=C2)F)C(=O)NO)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C(CC1(C(=O)O)OCC2=CC=C(C=C2)F)C(=O)NO)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21FN2O7S/c21-15-8-6-14(7-9-15)13-30-20(19(25)26)10-11-23(17(12-20)18(24)22-27)31(28,29)16-4-2-1-3-5-16/h1-9,17,27H,10-13H2,(H,22,24)(H,25,26)