4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-5,5-dimethyl-2-(phenylsulfonylamino)oxane-3-carboxylic acid

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-5,5-dimethyl-2-(phenylsulfonylamino)oxane-3-carboxylic acid Openeye Name: 2-(benzenesulfonamido)-4-[(2-chloro-4-fluoro-phenyl)methoxy]-5,5-dimethyl-tetrahydropyran-3-carboxylic acid CAS Name: 2-(benzenesulfonamido)-4-[(2-chloro-4-fluorophenyl)methoxy]-5,5-dimethyl-3-oxanecarboxylic acid IUPAC Name: 2-(benzenesulfonamido)-4-[(2-chloro-4-fluorophenyl)methoxy]-5,5-dimethyloxane-3-carboxylic acid Traditional Name: 2-(benzenesulfonamido)-4-(2-chloro-4-fluoro-benzyl)oxy-5,5-dimethyl-tetrahydropyran-3-carboxylic acid Formula: C21H23ClFNO6S MolecularWeight: 471.926823

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(C(C1OCC2=C(C=C(C=C2)F)Cl)C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(COC(C(C1OCC2=C(C=C(C=C2)F)Cl)C(=O)O)NS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H23ClFNO6S/c1-21(2)12-30-19(24-31(27,28)15-6-4-3-5-7-15)17(20(25)26)18(21)29-11-13-8-9-14(23)10-16(13)22/h3-10,17-19,24H,11-12H2,1-2H3,(H,25,26)