1-[4-[(2,6-dimethylpyridin-4-yl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(2,6-dimethylpyridin-4-yl)methoxy]phenyl]sulfonyl-3-oxidanyl-piperidine-3-carboxylic acid Openeye Name: 1-[4-[(2,6-dimethyl-4-pyridyl)methoxy]phenyl]sulfonyl-3-hydroxy-piperidine-3-carboxylic acid CAS Name: 1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]sulfonyl-3-hydroxy-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(2,6-dimethylpyridin-4-yl)methoxy]phenyl]sulfonyl-3-hydroxypiperidine-3-carboxylic acid Traditional Name: 1-[4-[(2,6-dimethyl-4-pyridyl)methoxy]phenyl]sulfonyl-3-hydroxy-nipecotic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=N1)C)COC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)(C(=O)O)O

InChI

InChI=1S/C20H24N2O6S/c1-14-10-16(11-15(2)21-14)12-28-17-4-6-18(7-5-17)29(26,27)22-9-3-8-20(25,13-22)19(23)24/h4-7,10-11,25H,3,8-9,12-13H2,1-2H3,(H,23,24)