
 CHEMBL30075

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.1585    1.0263   -2.7902 C   0  0  0  0  0
    0.4718    0.7722   -1.5035 C   0  0  0  0  0
    0.0881    1.6726   -0.5337 C   0  0  0  0  0
   -0.5949    1.0240    0.4450 O   0  0  0  0  0
   -0.6141   -0.3293    0.1799 N   0  0  0  0  0
    0.0337   -0.4791   -0.9812 C   0  0  0  0  0
    0.1842   -1.8323   -1.5662 C   0  0  0  0  0
    0.2684    3.0892   -0.5329 N   0  0  0  0  0
    1.8258    3.4895    0.0407 S   0  0  0  0  0
    1.8360    3.2589    1.4685 O   0  0  0  0  0
    2.8303    2.9313   -0.8371 O   0  0  0  0  0
    1.8159    5.2524   -0.2008 C   0  0  0  0  0
    2.4437    5.8074   -1.3191 C   0  0  0  0  0
    2.4680    7.2007   -1.4903 C   0  0  0  0  0
    1.8566    8.0339   -0.5246 C   0  0  0  0  0
    1.2366    7.4536    0.5949 C   0  0  0  0  0
    1.2236    6.0688    0.7651 C   0  0  0  0  0
    1.8828    9.4282   -0.7033 C   0  0  0  0  0
    2.5438   10.0111   -1.7884 C   0  0  0  0  0
    3.0935    9.1778   -2.7622 C   0  0  0  0  0
    3.0777    7.7884   -2.6071 C   0  0  0  0  0
    2.4533   11.3909   -2.0109 N   0  0  0  0  0
    0.8766    0.2772   -3.5379 H   0  0  0  0  0
    2.2442    0.9853   -2.6652 H   0  0  0  0  0
    0.8897    2.0072   -3.1955 H   0  0  0  0  0
    1.1251   -1.9193   -2.1183 H   0  0  0  0  0
   -0.6411   -2.0406   -2.2543 H   0  0  0  0  0
    0.1843   -2.6028   -0.7878 H   0  0  0  0  0
   -0.3826    3.4638    0.1606 H   0  0  0  0  0
    2.9175    5.1594   -2.0541 H   0  0  0  0  0
    0.7702    8.0825    1.3511 H   0  0  0  0  0
    0.7620    5.6433    1.6534 H   0  0  0  0  0
    1.3845   10.0708    0.0190 H   0  0  0  0  0
    3.5453    9.6032   -3.6545 H   0  0  0  0  0
    3.5372    7.1706   -3.3755 H   0  0  0  0  0
    3.1911   11.7573   -2.6047 H   0  0  0  0  0
    2.3430   11.9362   -1.1615 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  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 26  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 12  1  0  0  0
  9 11  2  0  0  0
  9 10  2  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 21  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL30075

>  <PubChem CID>
10403526

>  <Formula>
C15H15N3O3S

>  <Molecular Weight>
317.363000

>  <IUPAC Name>
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)naphthalene-2-sulfonamide

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)N

>  <Isomeric SMILES>
CC1=C(ON=C1C)NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)N

>  <InChI Std. ID>
InChI=1S/C15H15N3O3S/c1-9-10(2)17-21-15(9)18-22(19,20)14-6-4-11-7-13(16)5-3-12(11)8-14/h3-8,18H,16H2,1-2H3

>  <InChI Key>
AXCASGWUQSFEJM-UHFFFAOYSA-N

