3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonylamino]-5-methyl-5-oxidanyl-oxane-3-carboxylic acid

Systemtic Name: 3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonylamino]-5-methyl-5-oxidanyl-oxane-3-carboxylic acid Openeye Name: 3-[[4-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]sulfonylamino]-5-hydroxy-5-methyl-tetrahydropyran-3-carboxylic acid CAS Name: 3-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-5-hydroxy-5-methyl-3-oxanecarboxylic acid IUPAC Name: 3-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-5-hydroxy-5-methyloxane-3-carboxylic acid Traditional Name: 3-[[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]sulfonylamino]-5-hydroxy-5-methyl-tetrahydropyran-3-carboxylic acid Formula: C20H21ClFNO7S MolecularWeight: 473.899643

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(COC1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)O

Isomeric SMILES

CC1(CC(COC1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)F)Cl)O

InChI

InChI=1S/C20H21ClFNO7S/c1-19(26)10-20(18(24)25,12-29-11-19)23-31(27,28)16-6-4-15(5-7-16)30-9-13-2-3-14(22)8-17(13)21/h2-8,23,26H,9-12H2,1H3,(H,24,25)