
 CHEMBL25854

 40 42  0  0  0  0  0  0  0  0999 V2000
    0.7861   -6.6170    0.3739 C   0  0  0  0  0
    1.9429   -6.1131   -0.4009 C   0  0  0  0  0
    1.7536   -5.5306   -1.5912 N   0  0  0  0  0
    3.0169   -5.2204   -2.0590 O   0  0  0  0  0
    3.9474   -5.5759   -1.1339 C   0  0  0  0  0
    3.3174   -6.1642   -0.0658 C   0  0  0  0  0
    5.3479   -5.4050   -1.3391 N   0  0  0  0  0
    5.9970   -4.2400   -0.2825 S   0  0  0  0  0
    5.5022   -2.9579   -0.7451 O   0  0  0  0  0
    5.8250   -4.6551    1.0919 O   0  0  0  0  0
    7.7379   -4.3289   -0.6945 C   0  0  0  0  0
    8.2647   -3.2394   -1.4067 C   0  0  0  0  0
    9.6056   -3.2214   -1.7500 C   0  0  0  0  0
   10.4271   -4.2720   -1.3528 C   0  0  0  0  0
    9.9505   -5.3702   -0.5999 C   0  0  0  0  0
    8.5581   -5.4252   -0.2943 C   0  0  0  0  0
    8.0862   -6.5763    0.3789 C   0  0  0  0  0
    8.9373   -7.6085    0.7624 C   0  0  0  0  0
   10.2974   -7.5205    0.5017 C   0  0  0  0  0
   10.8353   -6.4111   -0.1681 C   0  0  0  0  0
   12.2389   -6.2922   -0.3777 N   0  0  0  0  0
   12.8445   -5.4041    0.6265 C   0  0  0  0  0
   12.9777   -7.5420   -0.5710 C   0  0  0  0  0
    0.9945   -7.6153    0.7718 H   0  0  0  0  0
   -0.1118   -6.6885   -0.2496 H   0  0  0  0  0
    0.5656   -5.9490    1.2121 H   0  0  0  0  0
    3.7752   -6.5862    0.8162 H   0  0  0  0  0
    5.4875   -5.0682   -2.2938 H   0  0  0  0  0
    7.6396   -2.3991   -1.7021 H   0  0  0  0  0
   10.0204   -2.3906   -2.3155 H   0  0  0  0  0
   11.4765   -4.2353   -1.6448 H   0  0  0  0  0
    7.0343   -6.7018    0.6225 H   0  0  0  0  0
    8.5382   -8.4750    1.2833 H   0  0  0  0  0
   10.9331   -8.3264    0.8533 H   0  0  0  0  0
   12.4235   -4.3939    0.5913 H   0  0  0  0  0
   13.9189   -5.3031    0.4349 H   0  0  0  0  0
   12.7171   -5.8010    1.6403 H   0  0  0  0  0
   12.4748   -8.1977   -1.2904 H   0  0  0  0  0
   13.1244   -8.0809    0.3723 H   0  0  0  0  0
   13.9698   -7.3192   -0.9794 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  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 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 22 35  1  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL25854

>  <PubChem CID>
10449375

>  <Formula>
C16H17N3O3S

>  <Molecular Weight>
331.390000

>  <IUPAC Name>
5-(dimethylamino)-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NOC(=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

>  <Isomeric SMILES>
CC1=NOC(=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C

>  <InChI Std. ID>
InChI=1S/C16H17N3O3S/c1-11-10-16(22-17-11)18-23(20,21)15-9-5-6-12-13(15)7-4-8-14(12)19(2)3/h4-10,18H,1-3H3

>  <InChI Key>
BEJKDLKGLLKNTJ-UHFFFAOYSA-N

