OBT

(1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide


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Chemical Component Summary

Name(1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Identifiers(1S,4S,5R)-N-(4-chlorophenyl)-2,3-bis(4-hydroxyphenyl)-N-[2,2,2-tris(fluoranyl)ethyl]-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonamide
FormulaC26 H21 Cl F3 N O5 S
Molecular Weight551.962
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O
InChIInChI=1S/C26H21ClF3NO5S/c27-17-5-7-18(8-6-17)31(14-26(28,29)30)37(34,35)22-13-21-23(15-1-9-19(32)10-2-15)24(25(22)36-21)16-3-11-20(33)12-4-16/h1-12,21-22,25,32-33H,13-14H2/t21-,22+,25+/m0/s1
InChIKeyIMJVXTIQVJFSBH-SGIRGMQISA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count3
Bond Count62
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 119058105