
 CHEMBL107123

 49 51  0  0  0  0  0  0  0  0999 V2000
   -1.2100   -0.1003    1.8990 C   0  0  0  0  0
   -0.7575   -1.0846    1.0249 C   0  0  0  0  0
    0.5473   -1.0323    0.5249 C   0  0  0  0  0
    1.4249    0.0054    0.8839 C   0  0  0  0  0
    0.9427    0.9893    1.7658 C   0  0  0  0  0
   -0.3600    0.9370    2.2708 C   0  0  0  0  0
    2.8040    0.0601    0.3586 C   0  0  0  0  0
    3.0804   -0.1708   -0.9991 C   0  0  0  0  0
    4.3872   -0.1126   -1.4976 C   0  0  0  0  0
    5.4584    0.1854   -0.6485 C   0  0  0  0  0
    5.1980    0.4050    0.7089 C   0  0  0  0  0
    3.8907    0.3427    1.2017 C   0  0  0  0  0
    6.8652    0.2736   -1.1765 C   0  0  0  0  0
    7.6116   -1.3649   -1.1974 S   0  0  0  0  0
    7.7426   -1.8636    0.1537 O   0  0  0  0  0
    7.0003   -2.1428   -2.2537 O   0  0  0  0  0
    9.1701   -1.0286   -1.7531 N   0  0  0  0  0
   10.0854   -0.2849   -0.8837 C   0  0  0  0  0
   11.4810   -0.2801   -1.5046 C   0  0  0  0  0
   12.4823    0.4317   -0.5935 C   0  0  0  0  0
   13.8691    0.5132   -1.2336 C   0  0  0  0  0
   14.8439    1.1684   -0.3221 C   0  0  0  0  0
   15.7018    0.6576    0.6287 C   0  0  0  0  0
   16.4118    1.6596    1.2366 N   0  0  0  0  0
   16.0034    2.7693    0.6677 C   0  0  0  0  0
   15.0572    2.5244   -0.2859 N   0  0  0  0  0
   -2.2227   -0.1425    2.2909 H   0  0  0  0  0
   -1.4165   -1.8987    0.7343 H   0  0  0  0  0
    0.8805   -1.8253   -0.1416 H   0  0  0  0  0
    1.5811    1.8191    2.0622 H   0  0  0  0  0
   -0.7082    1.7082    2.9528 H   0  0  0  0  0
    2.2705   -0.3926   -1.6916 H   0  0  0  0  0
    4.5548   -0.3086   -2.5555 H   0  0  0  0  0
    6.0091    0.6167    1.4031 H   0  0  0  0  0
    3.7294    0.5019    2.2664 H   0  0  0  0  0
    7.4698    0.9226   -0.5375 H   0  0  0  0  0
    6.8785    0.6664   -2.1979 H   0  0  0  0  0
    9.2190   -0.8779   -2.7602 H   0  0  0  0  0
   10.1233   -0.7495    0.1069 H   0  0  0  0  0
    9.7370    0.7468   -0.7776 H   0  0  0  0  0
   11.4460    0.2186   -2.4814 H   0  0  0  0  0
   11.8127   -1.3099   -1.6870 H   0  0  0  0  0
   12.5446   -0.1015    0.3641 H   0  0  0  0  0
   12.1202    1.4429   -0.3669 H   0  0  0  0  0
   13.8121    1.0691   -2.1776 H   0  0  0  0  0
   14.2247   -0.4944   -1.4812 H   0  0  0  0  0
   15.8427   -0.3784    0.9101 H   0  0  0  0  0
   16.3518    3.7666    0.9007 H   0  0  0  0  0
   14.5999    3.2229   -0.8551 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 17  1  0  0  0
 14 16  2  0  0  0
 14 15  2  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL107123

>  <PubChem CID>
44336173

>  <Formula>
C20H23N3O2S

>  <Molecular Weight>
369.483000

>  <IUPAC Name>
N-[4-(1H-imidazol-5-yl)butyl]-1-(4-phenylphenyl)methanesulfonamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)CS(=O)(=O)NCCCCC3=CN=CN3

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC=C(C=C2)CS(=O)(=O)NCCCCC3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C20H23N3O2S/c24-26(25,23-13-5-4-8-20-14-21-16-22-20)15-17-9-11-19(12-10-17)18-6-2-1-3-7-18/h1-3,6-7,9-12,14,16,23H,4-5,8,13,15H2,(H,21,22)

>  <InChI Key>
CXOGPHLZYDQGML-UHFFFAOYSA-N

