
 CHEMBL384677

 63 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL384677

>  <PubChem CID>
11524646

>  <Formula>
C21H34N4O3S

>  <Molecular Weight>
422.588000

>  <IUPAC Name>
N-[3-[4-[(1-propan-2-ylsulfonylpiperidin-4-yl)methyl]piperazin-1-yl]phenyl]acetamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)S(=O)(=O)N1CCC(CC1)CN2CCN(CC2)C3=CC(=CC=C3)NC(=O)C

>  <Isomeric SMILES>
CC(C)S(=O)(=O)N1CCC(CC1)CN2CCN(CC2)C3=CC(=CC=C3)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C21H34N4O3S/c1-17(2)29(27,28)25-9-7-19(8-10-25)16-23-11-13-24(14-12-23)21-6-4-5-20(15-21)22-18(3)26/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,22,26)

>  <InChI Key>
IKQRMTVLIXROJJ-UHFFFAOYSA-N

