
 MLS000076295

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M  END

>  <Chemical Name>
MLS000076295

>  <PubChem CID>
651592

>  <Formula>
C21H23ClN4O3S

>  <Molecular Weight>
446.950000

>  <IUPAC Name>
4-[5-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
CN(C)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN4O3S/c1-25(2)18-8-6-15(7-9-18)20-23-21(29-24-20)16-10-12-26(13-11-16)30(27,28)19-5-3-4-17(22)14-19/h3-9,14,16H,10-13H2,1-2H3

>  <InChI Key>
AHJLESCWKWSVKL-UHFFFAOYSA-N

