
 CHEMBL359332

 47 49  0  0  0  0  0  0  0  0999 V2000
    4.3145    3.5597    4.1294 C   0  0  0  0  0
    3.1805    4.3938    4.5811 C   0  0  0  0  0
    2.1154    4.8926    3.8635 C   0  0  0  0  0
    1.2524    5.5147    4.7112 O   0  0  0  0  0
    1.7710    5.5130    5.9903 N   0  0  0  0  0
    2.9287    4.8478    5.9085 C   0  0  0  0  0
    3.7612    4.6675    7.1222 C   0  0  0  0  0
    1.8417    4.7282    2.4684 N   0  0  0  0  0
    2.5934    5.9745    1.5552 S   0  0  0  0  0
    2.0065    7.2274    1.9879 O   0  0  0  0  0
    4.0269    5.7985    1.5715 O   0  0  0  0  0
    1.9312    5.6230   -0.0788 C   0  0  0  0  0
    0.6681    6.2196   -0.3224 C   0  0  0  0  0
    0.0285    6.0855   -1.5496 C   0  0  0  0  0
    0.6367    5.3481   -2.5481 C   0  0  0  0  0
    1.8745    4.7442   -2.3087 C   0  0  0  0  0
    2.5813    4.8688   -1.0855 C   0  0  0  0  0
    3.8915    4.1515   -0.9835 C   0  0  0  0  0
    4.1165    3.2723    0.0952 C   0  0  0  0  0
    5.3056    2.5501    0.2345 C   0  0  0  0  0
    6.2940    2.6477   -0.7315 C   0  0  0  0  0
    6.0883    3.4609   -1.8415 C   0  0  0  0  0
    4.9013    4.2104   -1.9991 C   0  0  0  0  0
    4.7172    5.0017   -3.1653 N   0  0  0  0  0
    5.2825    6.3409   -2.9926 C   0  0  0  0  0
    5.0851    4.3501   -4.4259 C   0  0  0  0  0
    4.2739    2.5783    4.6155 H   0  0  0  0  0
    5.2689    4.0287    4.3862 H   0  0  0  0  0
    4.2960    3.3918    3.0525 H   0  0  0  0  0
    4.3648    3.7569    7.0586 H   0  0  0  0  0
    3.1412    4.5930    8.0219 H   0  0  0  0  0
    4.4389    5.5189    7.2429 H   0  0  0  0  0
    0.8356    4.8784    2.3499 H   0  0  0  0  0
    0.1730    6.8134    0.4452 H   0  0  0  0  0
   -0.9326    6.5614   -1.7245 H   0  0  0  0  0
    0.1616    5.2388   -3.5194 H   0  0  0  0  0
    2.3087    4.1610   -3.1208 H   0  0  0  0  0
    3.3540    3.1361    0.8565 H   0  0  0  0  0
    5.4541    1.9120    1.1010 H   0  0  0  0  0
    7.2188    2.0868   -0.6307 H   0  0  0  0  0
    6.8738    3.5109   -2.5901 H   0  0  0  0  0
    6.3770    6.3094   -2.9357 H   0  0  0  0  0
    4.8929    6.8298   -2.0935 H   0  0  0  0  0
    5.0083    6.9683   -3.8483 H   0  0  0  0  0
    6.1674    4.3580   -4.5976 H   0  0  0  0  0
    4.6128    4.8804   -5.2604 H   0  0  0  0  0
    4.7250    3.3149   -4.4623 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  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
 25 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL359332

>  <PubChem CID>
10619232

>  <Formula>
C19H21N3O3S

>  <Molecular Weight>
371.455000

>  <IUPAC Name>
2-[2-(dimethylamino)phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3N(C)C

>  <Isomeric SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=CC=C2C3=CC=CC=C3N(C)C

>  <InChI Std. ID>
InChI=1S/C19H21N3O3S/c1-13-14(2)20-25-19(13)21-26(23,24)18-12-8-6-10-16(18)15-9-5-7-11-17(15)22(3)4/h5-12,21H,1-4H3

>  <InChI Key>
DHAHVLSQWCHUOO-UHFFFAOYSA-N

