4-[(2,6-dimethylpyridin-4-yl)methoxy]-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid

Systemtic Name: 4-[(2,6-dimethylpyridin-4-yl)methoxy]-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-[(2,6-dimethyl-4-pyridyl)methoxy]-3-hydroxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-[(2,6-dimethyl-4-pyridinyl)methoxy]-3-hydroxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-[(2,6-dimethylpyridin-4-yl)methoxy]-3-hydroxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-[(2,6-dimethyl-4-pyridyl)methoxy]-3-hydroxy-tetrahydropyran-3-carboxylic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)COC2CCOC(C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=N1)C)COC2CCOC(C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO7S/c1-13-10-15(11-14(2)21-13)12-28-17-8-9-27-19(20(17,24)18(22)23)29(25,26)16-6-4-3-5-7-16/h3-7,10-11,17,19,24H,8-9,12H2,1-2H3,(H,22,23)