
 CHEMBL283582

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.1301   -0.4916    1.0148 C   0  0  0  0  0
    3.1611   -0.8002    2.1484 C   0  0  0  0  0
    2.4682    0.4507    2.6509 C   0  0  0  0  0
    3.1293    1.1356    3.6948 C   0  0  0  0  0
    2.7256    2.4010    4.1237 C   0  0  0  0  0
    1.6512    3.0132    3.4824 C   0  0  0  0  0
    0.9546    2.3600    2.4512 C   0  0  0  0  0
    1.3514    1.0599    2.0393 C   0  0  0  0  0
    0.6680    0.5028    0.9361 N   0  0  0  0  0
    0.2633   -0.8098    0.7555 C   0  0  0  0  0
    0.2747   -1.6502    1.6468 O   0  0  0  0  0
   -0.2180   -1.1078   -0.5975 C   0  0  0  0  0
   -0.7587   -2.2807   -1.1057 C   0  0  0  0  0
   -1.0542   -2.1911   -2.5062 C   0  0  0  0  0
   -0.7400   -0.9608   -3.0285 C   0  0  0  0  0
   -0.1102    0.0869   -1.8450 S   0  0  0  0  0
   -1.0537   -3.7288   -0.1972 S   0  0  0  0  0
   -1.9133   -3.3125    0.8866 O   0  0  0  0  0
   -1.5413   -4.6721   -1.1859 O   0  0  0  0  0
    0.3963   -4.3298    0.4535 N   0  0  0  0  0
    1.0796   -5.1840   -0.4605 C   0  0  0  0  0
    1.9280   -4.8234   -1.4819 C   0  0  0  0  0
    2.3014   -6.0498   -2.0836 C   0  0  0  0  0
    1.7574   -7.0904   -1.4383 N   0  0  0  0  0
    1.0123   -6.5427   -0.4058 O   0  0  0  0  0
    3.1866   -6.2923   -3.2469 C   0  0  0  0  0
    2.4745   -3.2801   -1.9256 Cl  0  0  0  0  0
   -0.1992    3.0947    1.8140 C   0  0  0  0  0
    3.4998    3.1293    5.1829 C   0  0  0  0  0
    4.5769   -1.4173    0.6390 H   0  0  0  0  0
    4.9417    0.1597    1.3569 H   0  0  0  0  0
    3.6271    0.0060    0.1792 H   0  0  0  0  0
    3.7139   -1.2690    2.9739 H   0  0  0  0  0
    2.4688   -1.5715    1.8239 H   0  0  0  0  0
    4.0099    0.6847    4.1520 H   0  0  0  0  0
    1.3518    4.0143    3.7878 H   0  0  0  0  0
    0.2282    1.1577    0.3026 H   0  0  0  0  0
   -1.4719   -2.9973   -3.1000 H   0  0  0  0  0
   -0.8537   -0.6284   -4.0521 H   0  0  0  0  0
    0.1228   -4.8259    1.3032 H   0  0  0  0  0
    4.1706   -6.6343   -2.9113 H   0  0  0  0  0
    3.3266   -5.3866   -3.8448 H   0  0  0  0  0
    2.7623   -7.0575   -3.9059 H   0  0  0  0  0
    0.0809    3.4415    0.8152 H   0  0  0  0  0
   -0.4931    3.9695    2.4047 H   0  0  0  0  0
   -1.0804    2.4487    1.7470 H   0  0  0  0  0
    2.8488    3.8035    5.7494 H   0  0  0  0  0
    4.3005    3.7158    4.7218 H   0  0  0  0  0
    3.9419    2.4272    5.8964 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 14 15  2  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 17 20  1  0  0  0
 17 19  2  0  0  0
 17 18  2  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 25  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 27  1  0  0  0
 23 24  2  0  0  0
 23 26  1  0  0  0
 24 25  1  0  0  0
 26 41  1  0  0  0
 26 42  1  0  0  0
 26 43  1  0  0  0
 28 44  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 29 47  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL283582

>  <PubChem CID>
10182624

>  <Formula>
C19H20ClN3O4S2

>  <Molecular Weight>
453.956000

>  <IUPAC Name>
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4,6-dimethylphenyl)thiophene-2-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=CC(=CC(=C1NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Cl)C)C

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1NC(=O)C2=C(C=CS2)S(=O)(=O)NC3=C(C(=NO3)C)Cl)C)C

>  <InChI Std. ID>
InChI=1S/C19H20ClN3O4S2/c1-5-13-9-10(2)8-11(3)16(13)21-18(24)17-14(6-7-28-17)29(25,26)23-19-15(20)12(4)22-27-19/h6-9,23H,5H2,1-4H3,(H,21,24)

>  <InChI Key>
BEMRZVZLUSXULH-UHFFFAOYSA-N

