
 CHEMBL599878

 57 59  0  0  0  0  0  0  0  0999 V2000
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    4.5998    6.3113    0.8751 H   0  0  0  0  0
    6.2642    6.6796   -2.4506 H   0  0  0  0  0
    7.1834    8.1377   -2.0674 H   0  0  0  0  0
    5.4542    8.2456   -2.4178 H   0  0  0  0  0
    5.3617    8.7792    1.2348 H   0  0  0  0  0
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    7.1420    5.3044   -1.0554 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL599878

>  <PubChem CID>
46224624

>  <Formula>
C20H30N2O4S

>  <Molecular Weight>
394.530000

>  <IUPAC Name>
2,2-dimethyl-N-(4-morpholin-4-ylsulfonyl-5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC(C)(C)C(=O)NC1=CC(=C2CCCCC2=C1)S(=O)(=O)N3CCOCC3

>  <Isomeric SMILES>
CCC(C)(C)C(=O)NC1=CC(=C2CCCCC2=C1)S(=O)(=O)N3CCOCC3

>  <InChI Std. ID>
InChI=1S/C20H30N2O4S/c1-4-20(2,3)19(23)21-16-13-15-7-5-6-8-17(15)18(14-16)27(24,25)22-9-11-26-12-10-22/h13-14H,4-12H2,1-3H3,(H,21,23)

>  <InChI Key>
HTFLUZNOSRBKDY-UHFFFAOYSA-N

