
 CHEMBL27344

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.4170   -0.6019    1.7368 C   0  0  0  0  0
    3.4732   -0.4672    2.8226 C   0  0  0  0  0
    4.5482    0.5000    2.4564 C   0  0  0  0  0
    4.4080    1.7937    2.7695 N   0  0  0  0  0
    5.5433    2.4220    2.2911 O   0  0  0  0  0
    6.3675    1.5029    1.7267 C   0  0  0  0  0
    5.7803    0.2554    1.7838 C   0  0  0  0  0
    6.2868   -1.0219    1.2310 C   0  0  0  0  0
    7.6695    1.7955    1.2165 N   0  0  0  0  0
    7.5902    2.3262   -0.4027 S   0  0  0  0  0
    7.8785    1.1632   -1.2196 O   0  0  0  0  0
    6.3784    3.0908   -0.6052 O   0  0  0  0  0
    8.9830    3.4423   -0.5249 C   0  0  0  0  0
    8.6787    4.7705   -0.8593 C   0  0  0  0  0
    9.6966    5.6933   -1.0237 C   0  0  0  0  0
   11.0163    5.2989   -0.8246 C   0  0  0  0  0
   11.3717    3.9834   -0.4476 C   0  0  0  0  0
   10.3338    3.0105   -0.3340 C   0  0  0  0  0
   10.7295    1.6802   -0.0491 C   0  0  0  0  0
   12.0599    1.3285    0.1654 C   0  0  0  0  0
   13.0516    2.2951    0.0957 C   0  0  0  0  0
   12.7409    3.6277   -0.2132 C   0  0  0  0  0
   13.7592    4.6196   -0.2656 N   0  0  0  0  0
   13.8156    5.3927    0.9827 C   0  0  0  0  0
   15.0713    4.1799   -0.7454 C   0  0  0  0  0
    1.6553   -1.3285    2.0369 H   0  0  0  0  0
    2.8581   -0.9408    0.7934 H   0  0  0  0  0
    1.9186    0.3553    1.5502 H   0  0  0  0  0
    3.9119   -1.4512    3.0246 H   0  0  0  0  0
    2.9922   -0.1513    3.7565 H   0  0  0  0  0
    5.6348   -1.8638    1.4799 H   0  0  0  0  0
    7.2855   -1.2447    1.6185 H   0  0  0  0  0
    6.3462   -0.9625    0.1388 H   0  0  0  0  0
    8.2172    0.9380    1.1909 H   0  0  0  0  0
    7.6506    5.0926   -1.0142 H   0  0  0  0  0
    9.4709    6.7174   -1.3092 H   0  0  0  0  0
   11.7962    6.0435   -0.9800 H   0  0  0  0  0
   10.0128    0.8675   -0.0112 H   0  0  0  0  0
   12.3227    0.2972    0.3868 H   0  0  0  0  0
   14.0738    1.9897    0.2950 H   0  0  0  0  0
   12.8636    5.8864    1.2050 H   0  0  0  0  0
   14.5683    6.1845    0.8951 H   0  0  0  0  0
   14.0878    4.7579    1.8334 H   0  0  0  0  0
   14.9831    3.5769   -1.6559 H   0  0  0  0  0
   15.6162    3.6101    0.0161 H   0  0  0  0  0
   15.6798    5.0553   -0.9986 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
 24 41  1  0  0  0
 24 42  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL27344

>  <PubChem CID>
9998577

>  <Formula>
C18H21N3O3S

>  <Molecular Weight>
359.444000

>  <IUPAC Name>
5-(dimethylamino)-N-(3-ethyl-4-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=NOC(=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

>  <Isomeric SMILES>
CCC1=NOC(=C1C)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

>  <InChI Std. ID>
InChI=1S/C18H21N3O3S/c1-5-15-12(2)18(24-19-15)20-25(22,23)17-11-7-8-13-14(17)9-6-10-16(13)21(3)4/h6-11,20H,5H2,1-4H3

>  <InChI Key>
AQWJVXRFKWWWJT-UHFFFAOYSA-N

