
 733734-61-7

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M  END

>  <Chemical Name>
733734-61-7

>  <PubChem CID>
21023902

>  <Formula>
C20H22BrF3N2O5S

>  <Molecular Weight>
539.364000

>  <IUPAC Name>
2-bromo-4,5-dimethoxy-N-[3-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)C(F)(F)F

>  <Isomeric SMILES>
CN1CC[C@H](C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/m1/s1

>  <InChI Key>
BPOWQJYAMDEAFF-CYBMUJFWSA-N

