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

Systemtic Name: 4-(2,6-dimethylpyridin-4-yl)-3-oxidanyl-2-(phenylsulfonyl)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-4-(2,6-dimethyl-4-pyridyl)-3-hydroxy-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonyl)-4-(2,6-dimethyl-4-pyridinyl)-3-hydroxy-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-4-(2,6-dimethylpyridin-4-yl)-3-hydroxyoxane-3-carboxylic acid Traditional Name: 2-besyl-4-(2,6-dimethyl-4-pyridyl)-3-hydroxy-tetrahydropyran-3-carboxylic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2CCOC(C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2CCOC(C2(C(=O)O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO6S/c1-12-10-14(11-13(2)20-12)16-8-9-26-18(19(16,23)17(21)22)27(24,25)15-6-4-3-5-7-15/h3-7,10-11,16,18,23H,8-9H2,1-2H3,(H,21,22)