
 CHEMBL209985

 59 60  0  0  0  0  0  0  0  0999 V2000
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    7.3837    1.6567   -5.3571 H   0  0  0  0  0
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    6.7014    1.2564   -0.5561 H   0  0  0  0  0
    9.3565    0.8157   -1.8765 H   0  0  0  0  0
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    6.2295   14.4409   -1.9599 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL209985

>  <PubChem CID>
10318597

>  <Formula>
C19H32N4O3S

>  <Molecular Weight>
396.550000

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

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)S(=O)(=O)NCCCCN1CCN(CC1)C2=CC(=CC=C2)NC(=O)C

>  <Isomeric SMILES>
CC(C)S(=O)(=O)NCCCCN1CCN(CC1)C2=CC(=CC=C2)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C19H32N4O3S/c1-16(2)27(25,26)20-9-4-5-10-22-11-13-23(14-12-22)19-8-6-7-18(15-19)21-17(3)24/h6-8,15-16,20H,4-5,9-14H2,1-3H3,(H,21,24)

>  <InChI Key>
CPBIWHVJLGAGPZ-UHFFFAOYSA-N

