3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonylamino]-6-(2-phenylmethoxyethyl)oxane-3-carboxylic acid

Systemtic Name: 3-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]phenyl]sulfonylamino]-6-(2-phenylmethoxyethyl)oxane-3-carboxylic acid Openeye Name: 6-(2-benzyloxyethyl)-3-[[4-[(2-chloro-4-fluoro-phenyl)methoxy]phenyl]sulfonylamino]tetrahydropyran-3-carboxylic acid CAS Name: 3-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-6-(2-phenylmethoxyethyl)-3-oxanecarboxylic acid IUPAC Name: 3-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-6-(2-phenylmethoxyethyl)oxane-3-carboxylic acid Traditional Name: 6-(2-benzoxyethyl)-3-[[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]sulfonylamino]tetrahydropyran-3-carboxylic acid Formula: C28H29ClFNO7S MolecularWeight: 578.048763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(COC1CCOCC2=CC=CC=C2)(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CC(COC1CCOCC2=CC=CC=C2)(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C28H29ClFNO7S/c29-26-16-22(30)7-6-21(26)18-37-23-8-10-25(11-9-23)39(34,35)31-28(27(32)33)14-12-24(38-19-28)13-15-36-17-20-4-2-1-3-5-20/h1-11,16,24,31H,12-15,17-19H2,(H,32,33)