
 CHEMBL2159481

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2159481

>  <PubChem CID>
71449643

>  <Formula>
C24H24F2N2O3S

>  <Molecular Weight>
458.524000

>  <IUPAC Name>
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CC1NS(=O)(=O)C2=CC(=C(C=C2)F)F)CCOC3=CC=CC=C3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CC1NS(=O)(=O)C2=CC(=C(C=C2)F)F)CCOC3=CC=CC=C3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H24F2N2O3S/c25-22-11-10-20(16-23(22)26)32(29,30)27-19-12-13-28(17-19)14-15-31-24-9-5-4-8-21(24)18-6-2-1-3-7-18/h1-11,16,19,27H,12-15,17H2

>  <InChI Key>
AJRQMVCEFKRUBB-UHFFFAOYSA-N

