
 MLS001116411

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M  END

>  <Chemical Name>
MLS001116411

>  <PubChem CID>
23604969

>  <Formula>
C22H27ClFN3O2S

>  <Molecular Weight>
451.985000

>  <IUPAC Name>
4-chloro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

>  <XlogP>
4.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4F

>  <Isomeric SMILES>
C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCN(CC3)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C22H27ClFN3O2S/c23-17-9-11-18(12-10-17)30(28,29)25-20-6-2-4-8-22(20)27-15-13-26(14-16-27)21-7-3-1-5-19(21)24/h1,3,5,7,9-12,20,22,25H,2,4,6,8,13-16H2

>  <InChI Key>
FFNDTDNFSMPSTD-UHFFFAOYSA-N

