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

Systemtic Name: 2-(oxidanylcarbamoyl)-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid Openeye Name: 2-(hydroxycarbamoyl)-1-[4-(4-pyridylmethoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 2-[(hydroxyamino)-oxomethyl]-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 2-(hydroxycarbamoyl)-1-[4-(pyridin-4-ylmethoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 2-(hydroxycarbamoyl)-1-[4-(4-pyridylmethoxy)phenyl]sulfonyl-isonipecotic acid Formula: C19H21N3O7S MolecularWeight: 435.45094

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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)OCC3=CC=NC=C3

Isomeric SMILES

C1CN(C(CC1C(=O)O)C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OCC3=CC=NC=C3

InChI

InChI=1S/C19H21N3O7S/c23-18(21-26)17-11-14(19(24)25)7-10-22(17)30(27,28)16-3-1-15(2-4-16)29-12-13-5-8-20-9-6-13/h1-6,8-9,14,17,26H,7,10-12H2,(H,21,23)(H,24,25)