
 CHEMBL149060

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.7303    5.7280    3.5016 C   0  0  0  0  0
    3.3940    4.4125    3.6042 C   0  0  0  0  0
    4.3283    3.8406    2.7684 C   0  0  0  0  0
    4.7574    2.6640    3.2971 O   0  0  0  0  0
    4.0531    2.3983    4.4605 N   0  0  0  0  0
    3.2436    3.4463    4.6247 C   0  0  0  0  0
    4.8464    4.4123    1.5795 N   0  0  0  0  0
    3.9382    4.0077    0.1974 S   0  0  0  0  0
    4.8806    3.7405   -0.8669 O   0  0  0  0  0
    2.9384    3.0191    0.5530 O   0  0  0  0  0
    3.0853    5.5218   -0.1979 C   0  0  0  0  0
    1.6864    5.4435   -0.3356 C   0  0  0  0  0
    0.9337    6.5890   -0.5815 C   0  0  0  0  0
    1.5709    7.8172   -0.6986 C   0  0  0  0  0
    2.9601    7.8959   -0.5745 C   0  0  0  0  0
    3.7509    6.7546   -0.3210 C   0  0  0  0  0
    5.2013    6.9481   -0.1927 C   0  0  0  0  0
    5.7323    7.5797    0.9420 C   0  0  0  0  0
    7.1005    7.8361    1.0468 C   0  0  0  0  0
    7.9709    7.4822    0.0100 C   0  0  0  0  0
    7.4512    6.8407   -1.1195 C   0  0  0  0  0
    6.0810    6.5785   -1.2192 C   0  0  0  0  0
    9.4367    7.8347    0.0910 C   0  0  0  0  0
    9.7886    9.1741   -0.5896 C   0  0  0  0  0
    9.1121   10.3728    0.0827 C   0  0  0  0  0
   11.3062    9.3765   -0.5782 C   0  0  0  0  0
    2.1071    5.9265    4.3800 H   0  0  0  0  0
    2.0876    5.7776    2.6198 H   0  0  0  0  0
    3.4747    6.5287    3.4361 H   0  0  0  0  0
    2.5955    3.4708    5.4901 H   0  0  0  0  0
    5.7965    4.0992    1.3685 H   0  0  0  0  0
    1.1701    4.4891   -0.2418 H   0  0  0  0  0
   -0.1472    6.5205   -0.6795 H   0  0  0  0  0
    0.9911    8.7166   -0.8913 H   0  0  0  0  0
    3.4370    8.8707   -0.6804 H   0  0  0  0  0
    5.0758    7.8912    1.7518 H   0  0  0  0  0
    7.4790    8.3424    1.9321 H   0  0  0  0  0
    8.1061    6.5508   -1.9387 H   0  0  0  0  0
    5.7034    6.0899   -2.1164 H   0  0  0  0  0
   10.0123    7.0234   -0.3751 H   0  0  0  0  0
    9.7516    7.8494    1.1429 H   0  0  0  0  0
    9.4604    9.1440   -1.6366 H   0  0  0  0  0
    9.3361   10.4066    1.1542 H   0  0  0  0  0
    8.0252   10.3370   -0.0397 H   0  0  0  0  0
    9.4528   11.3135   -0.3633 H   0  0  0  0  0
   11.6946    9.4048    0.4457 H   0  0  0  0  0
   11.5777   10.3173   -1.0686 H   0  0  0  0  0
   11.8115    8.5649   -1.1118 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 39  1  0  0  0
 23 24  1  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 24 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL149060

>  <PubChem CID>
10737908

>  <Formula>
C20H22N2O3S

>  <Molecular Weight>
370.467000

>  <IUPAC Name>
N-(4-methyl-1,2-oxazol-5-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(ON=C1)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)CC(C)C

>  <Isomeric SMILES>
CC1=C(ON=C1)NS(=O)(=O)C2=CC=CC=C2C3=CC=C(C=C3)CC(C)C

>  <InChI Std. ID>
InChI=1S/C20H22N2O3S/c1-14(2)12-16-8-10-17(11-9-16)18-6-4-5-7-19(18)26(23,24)22-20-15(3)13-21-25-20/h4-11,13-14,22H,12H2,1-3H3

>  <InChI Key>
BVBZNVTXDHYSOW-UHFFFAOYSA-N

