
 353231-17-1

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M  END

>  <Chemical Name>
353231-17-1

>  <PubChem CID>
9825084

>  <Formula>
C21H19F3N2O4S

>  <Molecular Weight>
452.448000

>  <IUPAC Name>
2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=CC=C1OC2=CC=C(C=C2)N(CC3=CN=CC=C3)S(=O)(=O)CC(F)(F)F

>  <Isomeric SMILES>
COC1=CC=CC=C1OC2=CC=C(C=C2)N(CC3=CN=CC=C3)S(=O)(=O)CC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3

>  <InChI Key>
ALMACYDZFBMGOR-UHFFFAOYSA-N

