
 SCHEMBL7097480

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.0225    1.0252   -1.2185 C   0  0  0  0  0
    2.4128   -0.0801   -1.3093 S   0  0  0  0  0
    1.9118   -1.4319   -1.1764 O   0  0  0  0  0
    3.2520    0.3074   -2.4217 O   0  0  0  0  0
    3.1791    0.2644    0.1696 N   0  0  0  0  0
    4.4845    0.8419    0.0715 C   0  0  0  0  0
    4.5658    2.2302   -0.0648 C   0  0  0  0  0
    5.7988    2.8425   -0.2582 C   0  0  0  0  0
    6.9482    2.0636   -0.3459 C   0  0  0  0  0
    6.8829    0.6619   -0.2294 C   0  0  0  0  0
    5.6367    0.0346   -0.0116 C   0  0  0  0  0
    5.5496   -1.4617    0.1977 C   0  0  0  0  0
    6.7787   -2.2503   -0.2446 C   0  0  0  0  0
    8.0631   -1.5463    0.1715 C   0  0  0  0  0
    8.1586   -0.1407   -0.4414 C   0  0  0  0  0
    8.5457   -0.2053   -1.8937 C   0  0  0  0  0
    9.7798   -0.2464   -2.5089 C   0  0  0  0  0
    9.6503   -0.3036   -3.8719 N   0  0  0  0  0
    8.3574   -0.2910   -4.0983 C   0  0  0  0  0
    7.6450   -0.2264   -2.9359 N   0  0  0  0  0
    1.3839    2.0543   -1.1902 H   0  0  0  0  0
    0.4405    0.7877   -0.3257 H   0  0  0  0  0
    0.4105    0.8701   -2.1097 H   0  0  0  0  0
    3.1242   -0.5650    0.7637 H   0  0  0  0  0
    3.6690    2.8410   -0.0200 H   0  0  0  0  0
    5.8632    3.9224   -0.3629 H   0  0  0  0  0
    7.9047    2.5511   -0.5316 H   0  0  0  0  0
    5.3877   -1.6338    1.2696 H   0  0  0  0  0
    4.6866   -1.8749   -0.3349 H   0  0  0  0  0
    6.7435   -3.2541    0.1948 H   0  0  0  0  0
    6.7589   -2.3897   -1.3315 H   0  0  0  0  0
    8.9290   -2.1562   -0.1139 H   0  0  0  0  0
    8.0816   -1.4665    1.2668 H   0  0  0  0  0
    8.9676    0.3783    0.0929 H   0  0  0  0  0
   10.7559   -0.2390   -2.0410 H   0  0  0  0  0
    7.8808   -0.3231   -5.0688 H   0  0  0  0  0
    6.6356   -0.1877   -2.8598 H   0  0  0  0  0
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  1 23  1  0  0  0
  2  5  1  0  0  0
  2  4  2  0  0  0
  2  3  2  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 25  1  0  0  0
  8  9  2  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
  9 27  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL7097480

>  <PubChem CID>
11449200

>  <Formula>
C14H17N3O2S

>  <Molecular Weight>
291.369000

>  <IUPAC Name>
N-[(5R)-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=CC=CC2=C1CCC[C@H]2C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C14H17N3O2S/c1-20(18,19)17-13-7-3-4-10-11(13)5-2-6-12(10)14-8-15-9-16-14/h3-4,7-9,12,17H,2,5-6H2,1H3,(H,15,16)/t12-/m1/s1

>  <InChI Key>
FTWWLMPVXHMPNP-GFCCVEGCSA-N

