
 CHEMBL539091

 67 69  0  0  0  0  0  0  0  0999 V2000
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    1.1402    0.3085   -0.3985 H   0  0  0  0  0
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    3.0674    0.4938    1.0787 H   0  0  0  0  0
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    5.6869   -4.8866    1.5253 H   0  0  0  0  0
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    4.7148   -3.0099    5.7531 H   0  0  0  0  0
    3.5377   -0.8915    5.2875 H   0  0  0  0  0
    3.1314   -0.1665    3.0165 H   0  0  0  0  0
    3.1658    1.2105   -1.1661 H   0  0  0  0  0
    5.2881    1.1734    0.4720 H   0  0  0  0  0
    6.2138   -0.9314   -0.6207 H   0  0  0  0  0
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    6.9217   -0.8607   -3.0123 H   0  0  0  0  0
    5.1492   -0.6006   -2.8978 H   0  0  0  0  0
    7.3235    1.5644   -3.2484 H   0  0  0  0  0
    6.1492    1.0310   -4.4837 H   0  0  0  0  0
    5.4147    3.1892   -3.3864 H   0  0  0  0  0
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    4.5839    8.9334   -3.4331 H   0  0  0  0  0
    3.8562    7.6074   -4.4501 H   0  0  0  0  0
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   -0.3413   -0.9131   -3.9234 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 36  1  0  0  0
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  2 13  1  0  0  0
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  2 38  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
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  4 39  1  0  0  0
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 34 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL539091

>  <PubChem CID>
11849518

>  <Formula>
C26H33ClN2O4S

>  <Molecular Weight>
505.070000

>  <IUPAC Name>
2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC3CCCCC3NS(=O)(=O)C4=C(C=CC(=C4)OC)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)N[C@@H]3CCCC[C@H]3NS(=O)(=O)C4=C(C=CC(=C4)OC)OC.Cl

>  <InChI Std. ID>
InChI=1S/C26H32N2O4S.ClH/c1-18(21-12-8-10-19-9-4-5-11-22(19)21)27-23-13-6-7-14-24(23)28-33(29,30)26-17-20(31-2)15-16-25(26)32-3;/h4-5,8-12,15-18,23-24,27-28H,6-7,13-14H2,1-3H3;1H/t18?,23-,24-;/m1./s1

>  <InChI Key>
ADUJPSGJVCXFSY-ACOCUZPYSA-N

