2-(2-ethylbutoxy)-1-(phenylsulfonyl)piperidine-4-carboxylic acid

Systemtic Name: 2-(2-ethylbutoxy)-1-(phenylsulfonyl)piperidine-4-carboxylic acid Openeye Name: 1-(benzenesulfonyl)-2-(2-ethylbutoxy)piperidine-4-carboxylic acid CAS Name: 1-(benzenesulfonyl)-2-(2-ethylbutoxy)-4-piperidinecarboxylic acid IUPAC Name: 1-(benzenesulfonyl)-2-(2-ethylbutoxy)piperidine-4-carboxylic acid Traditional Name: 1-besyl-2-(2-ethylbutoxy)isonipecotic acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)COC1CC(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC(CC)COC1CC(CCN1S(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H27NO5S/c1-3-14(4-2)13-24-17-12-15(18(20)21)10-11-19(17)25(22,23)16-8-6-5-7-9-16/h5-9,14-15,17H,3-4,10-13H2,1-2H3,(H,20,21)