
 CHEMBL3287585

 53 55  0  0  0  0  0  0  0  0999 V2000
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    2.3158    3.2330    0.2509 C   0  0  0  0  0
    1.8755    1.7808    0.1687 C   0  0  0  0  0
    0.1787    3.7964   -0.5884 O   0  0  0  0  0
   -0.7288    4.7647   -1.0984 C   0  0  0  0  0
    5.5178    5.5664    1.4135 S   0  0  0  0  0
    6.5180    4.5414    1.2143 O   0  0  0  0  0
    5.7176    6.8910    0.8626 O   0  0  0  0  0
    5.2670    5.6746    3.0959 N   0  0  0  0  0
    4.8037    6.9473    3.5807 C   0  0  0  0  0
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    3.4388    7.2320    3.5763 C   0  0  0  0  0
    1.3209    8.8616    3.9446 Cl  0  0  0  0  0
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    7.9969    8.5951    3.7258 C   0  0  0  0  0
    0.5731   -0.3929   -0.5791 H   0  0  0  0  0
    1.1824   -2.0178   -0.6939 H   0  0  0  0  0
    1.8404   -0.7733   -1.7753 H   0  0  0  0  0
    3.1919   -2.6688    0.1389 H   0  0  0  0  0
    4.2896   -1.6005    0.9626 H   0  0  0  0  0
    4.1569   -1.5239   -0.8126 H   0  0  0  0  0
    3.5660    0.8527   -0.8042 H   0  0  0  0  0
    4.8060    0.3936    1.3689 H   0  0  0  0  0
    3.4241    1.0255    2.2569 H   0  0  0  0  0
    5.3333    2.4440    0.3688 H   0  0  0  0  0
    5.0404    2.7400    2.1000 H   0  0  0  0  0
    3.2936    6.9890    0.4211 H   0  0  0  0  0
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    1.2157    1.5874    1.0256 H   0  0  0  0  0
    1.2859    1.6577   -0.7470 H   0  0  0  0  0
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   -0.2976    5.3050   -1.9477 H   0  0  0  0  0
   -1.0504    5.4537   -0.3107 H   0  0  0  0  0
    6.1256    5.3621    3.5532 H   0  0  0  0  0
    5.9713    9.9693    4.6780 H   0  0  0  0  0
    3.5708   10.4627    4.6506 H   0  0  0  0  0
    2.7205    6.4718    3.2865 H   0  0  0  0  0
    8.9731    8.1336    3.5491 H   0  0  0  0  0
    8.0904    9.2350    4.6090 H   0  0  0  0  0
    7.7372    9.1833    2.8389 H   0  0  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
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  3 33  1  0  0  0
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  4 35  1  0  0  0
  5  6  1  0  0  0
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  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3287585

>  <PubChem CID>
11999842

>  <Formula>
C20H25ClN2O4S

>  <Molecular Weight>
424.940000

>  <IUPAC Name>
(6R)-N-(5-chloro-2-methoxyphenyl)-6-(dimethylamino)-4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C1CCC2=C(C=CC(=C2C1)OC)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC

>  <Isomeric SMILES>
CN(C)[C@@H]1CCC2=C(C=CC(=C2C1)OC)S(=O)(=O)NC3=C(C=CC(=C3)Cl)OC

>  <InChI Std. ID>
InChI=1S/C20H25ClN2O4S/c1-23(2)14-6-7-15-16(12-14)18(26-3)9-10-20(15)28(24,25)22-17-11-13(21)5-8-19(17)27-4/h5,8-11,14,22H,6-7,12H2,1-4H3/t14-/m1/s1

>  <InChI Key>
DUNOTSIJXJAZFG-CQSZACIVSA-N

