
 CHEMBL322082

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.0028    0.9895   -0.3583 C   0  0  0  0  0
    2.3681   -0.1254   -0.5856 S   0  0  0  0  0
    1.8949   -1.4664   -0.3174 O   0  0  0  0  0
    3.0485    0.2062   -1.8181 O   0  0  0  0  0
    3.3331    0.2871    0.7549 N   0  0  0  0  0
    4.6170    0.8351    0.4432 C   0  0  0  0  0
    5.7408    0.0056    0.2409 C   0  0  0  0  0
    5.6507   -1.4736    0.5616 C   0  0  0  0  0
    6.8127   -2.3293    0.0740 C   0  0  0  0  0
    8.1354   -1.6029    0.2560 C   0  0  0  0  0
    8.1551   -0.2890   -0.5442 C   0  0  0  0  0
    6.9575    0.5921   -0.1983 C   0  0  0  0  0
    7.0105    1.9897   -0.3980 C   0  0  0  0  0
    5.8856    2.7878   -0.1855 C   0  0  0  0  0
    4.6874    2.2095    0.2175 C   0  0  0  0  0
    8.4440    2.7944   -0.9349 Cl  0  0  0  0  0
    8.2627   -0.5691   -2.0224 C   0  0  0  0  0
    9.3044   -1.0715   -2.7767 C   0  0  0  0  0
    8.9560   -1.1752   -4.0974 N   0  0  0  0  0
    7.7215   -0.7360   -4.1647 C   0  0  0  0  0
    7.2535   -0.3632   -2.9378 N   0  0  0  0  0
    1.3641    2.0168   -0.4287 H   0  0  0  0  0
    0.5490    0.7982    0.6162 H   0  0  0  0  0
    0.2744    0.7965   -1.1489 H   0  0  0  0  0
    3.3493   -0.5094    1.3954 H   0  0  0  0  0
    5.5878   -1.5650    1.6539 H   0  0  0  0  0
    4.7327   -1.9001    0.1436 H   0  0  0  0  0
    6.8248   -3.2775    0.6239 H   0  0  0  0  0
    6.6646   -2.5883   -0.9811 H   0  0  0  0  0
    8.9607   -2.2581   -0.0484 H   0  0  0  0  0
    8.2832   -1.3861    1.3225 H   0  0  0  0  0
    9.0729    0.2274   -0.2336 H   0  0  0  0  0
    5.9319    3.8613   -0.3529 H   0  0  0  0  0
    3.8115    2.8371    0.3555 H   0  0  0  0  0
   10.2862   -1.3728   -2.4340 H   0  0  0  0  0
    7.1194   -0.6653   -5.0606 H   0  0  0  0  0
    6.3280    0.0013   -2.7480 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  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 25  1  0  0  0
  6 15  1  0  0  0
  6  7  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 17 18  2  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL322082

>  <PubChem CID>
9905391

>  <Formula>
C14H16ClN3O2S

>  <Molecular Weight>
325.811000

>  <IUPAC Name>
N-[4-chloro-5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CS(=O)(=O)NC1=C2CCCC(C2=C(C=C1)Cl)C3=CN=CN3

>  <Isomeric SMILES>
CS(=O)(=O)NC1=C2CCCC(C2=C(C=C1)Cl)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C14H16ClN3O2S/c1-21(19,20)18-12-6-5-11(15)14-9(12)3-2-4-10(14)13-7-16-8-17-13/h5-8,10,18H,2-4H2,1H3,(H,16,17)

>  <InChI Key>
UXPUUJJDEGBYQL-UHFFFAOYSA-N

