
 CHEMBL178285

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL178285

>  <PubChem CID>
21268037

>  <Formula>
C25H39N3O5S

>  <Molecular Weight>
493.663000

>  <IUPAC Name>
N-[[1-[3-(4,4-dimethylpiperidin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1(CCN(CC1)S(=O)(=O)CCCN2CCC(CC2)CNC(=O)C3=C4C(=CC=C3)OCCO4)C

>  <Isomeric SMILES>
CC1(CCN(CC1)S(=O)(=O)CCCN2CCC(CC2)CNC(=O)C3=C4C(=CC=C3)OCCO4)C

>  <InChI Std. ID>
InChI=1S/C25H39N3O5S/c1-25(2)9-14-28(15-10-25)34(30,31)18-4-11-27-12-7-20(8-13-27)19-26-24(29)21-5-3-6-22-23(21)33-17-16-32-22/h3,5-6,20H,4,7-19H2,1-2H3,(H,26,29)

>  <InChI Key>
CMJFOJMZVJTMOL-UHFFFAOYSA-N

