
 CHEMBL286682

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.1330   -0.8792    3.3222 C   0  0  0  0  0
    3.1327   -0.0736    2.0331 C   0  0  0  0  0
    4.0613    1.1381    2.1256 C   0  0  0  0  0
    3.9492    1.9172    0.8964 N   0  0  0  0  0
    4.7521    3.0473    0.7107 C   0  0  0  0  0
    4.3380    4.0073   -0.2279 C   0  0  0  0  0
    5.1363    5.1076   -0.5489 C   0  0  0  0  0
    6.3938    5.2339    0.0402 C   0  0  0  0  0
    6.8357    4.2953    0.9712 C   0  0  0  0  0
    6.0189    3.2038    1.2897 C   0  0  0  0  0
    7.4414    6.5940   -0.4224 S   0  0  0  0  0
    6.5775    7.6742   -0.8488 O   0  0  0  0  0
    8.4301    6.7629    0.6198 O   0  0  0  0  0
    8.1625    5.9335   -1.8199 N   0  0  0  0  0
    9.1838    6.7863   -2.3319 C   0  0  0  0  0
   10.4810    6.9210   -1.8873 C   0  0  0  0  0
   11.0379    7.8794   -2.7830 C   0  0  0  0  0
   10.1560    8.2506   -3.7184 N   0  0  0  0  0
    9.0050    7.5409   -3.4469 O   0  0  0  0  0
   12.3977    8.4663   -2.7876 C   0  0  0  0  0
   11.1655    6.2341   -0.7674 C   0  0  0  0  0
    2.4887   -1.7579    3.2197 H   0  0  0  0  0
    2.7580   -0.2789    4.1568 H   0  0  0  0  0
    4.1414   -1.2236    3.5713 H   0  0  0  0  0
    2.1086    0.2484    1.8105 H   0  0  0  0  0
    3.4488   -0.7170    1.2025 H   0  0  0  0  0
    5.0847    0.7768    2.2736 H   0  0  0  0  0
    3.7822    1.7602    2.9842 H   0  0  0  0  0
    2.9810    2.1015    0.6443 H   0  0  0  0  0
    3.3766    3.8997   -0.7257 H   0  0  0  0  0
    4.7751    5.8402   -1.2668 H   0  0  0  0  0
    7.8152    4.3869    1.4343 H   0  0  0  0  0
    6.4094    2.4684    1.9867 H   0  0  0  0  0
    7.4252    5.8946   -2.5273 H   0  0  0  0  0
   12.7423    8.6513   -3.8104 H   0  0  0  0  0
   13.1214    7.7999   -2.3090 H   0  0  0  0  0
   12.3989    9.4185   -2.2475 H   0  0  0  0  0
   10.5687    5.4108   -0.3652 H   0  0  0  0  0
   11.3758    6.9386    0.0426 H   0  0  0  0  0
   12.1158    5.8084   -1.1063 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  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 19  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 21  1  0  0  0
 17 18  2  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
 21 38  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL286682

>  <PubChem CID>
10470588

>  <Formula>
C14H19N3O3S

>  <Molecular Weight>
309.384000

>  <IUPAC Name>
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(propylamino)benzenesulfonamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCNC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C

>  <Isomeric SMILES>
CCCNC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C

>  <InChI Std. ID>
InChI=1S/C14H19N3O3S/c1-4-9-15-12-5-7-13(8-6-12)21(18,19)17-14-10(2)11(3)16-20-14/h5-8,15,17H,4,9H2,1-3H3

>  <InChI Key>
ARYCFFYGDKYENL-UHFFFAOYSA-N

