2-(oxidanylcarbamoyl)-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid

Systemtic Name: 2-(oxidanylcarbamoyl)-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 2-(hydroxycarbamoyl)-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 2-[(hydroxyamino)-oxomethyl]-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 2-(hydroxycarbamoyl)-1-[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 2-(hydroxycarbamoyl)-1-[4-[2-(4-pyridyl)ethoxy]phenyl]sulfonyl-isonipecotic acid Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3

Isomeric SMILES

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCCC3=CC=NC=C3

InChI

InChI=1S/C20H23N3O7S/c24-19(22-27)18-13-15(20(25)26)7-11-23(18)31(28,29)17-3-1-16(2-4-17)30-12-8-14-5-9-21-10-6-14/h1-6,9-10,15,18,27H,7-8,11-13H2,(H,22,24)(H,25,26)