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

Systemtic Name: 3-[[4-[(4-chloranyl-2-fluoranyl-phenyl)methoxy]phenyl]sulfonylamino]-6-(3-ethoxypropyl)oxane-3-carboxylic acid Openeye Name: 3-[[4-[(4-chloro-2-fluoro-phenyl)methoxy]phenyl]sulfonylamino]-6-(3-ethoxypropyl)tetrahydropyran-3-carboxylic acid CAS Name: 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]sulfonylamino]-6-(3-ethoxypropyl)-3-oxanecarboxylic acid IUPAC Name: 3-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]sulfonylamino]-6-(3-ethoxypropyl)oxane-3-carboxylic acid Traditional Name: 3-[[4-(4-chloro-2-fluoro-benzyl)oxyphenyl]sulfonylamino]-6-(3-ethoxypropyl)tetrahydropyran-3-carboxylic acid Formula: C24H29ClFNO7S MolecularWeight: 530.005963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCC1CCC(CO1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCOCCCC1CCC(CO1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C24H29ClFNO7S/c1-2-32-13-3-4-19-11-12-24(16-34-19,23(28)29)27-35(30,31)21-9-7-20(8-10-21)33-15-17-5-6-18(25)14-22(17)26/h5-10,14,19,27H,2-4,11-13,15-16H2,1H3,(H,28,29)