
 SMR000026956

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.2008   -1.7494   -0.1907 C   0  0  0  0  0
   -2.4271   -0.8219   -0.1488 C   0  0  0  0  0
   -1.9155    0.5682   -0.3650 N   0  0  0  0  0
   -0.4941    0.5279   -0.2328 C   0  0  0  0  0
    0.4134    1.5689   -0.3292 C   0  0  0  0  0
    1.7762    1.2770   -0.2189 C   0  0  0  0  0
    2.2112   -0.0456   -0.0510 C   0  0  0  0  0
    1.2908   -1.0940   -0.0127 C   0  0  0  0  0
   -0.0582   -0.7899   -0.1157 C   0  0  0  0  0
   -2.7914    1.8091    0.3775 S   0  0  0  0  0
   -2.2261    3.0971    0.0346 O   0  0  0  0  0
   -4.2033    1.5340    0.2247 O   0  0  0  0  0
   -2.5056    1.6868    2.1063 C   0  0  0  0  0
   -3.1300    1.0185    3.1375 C   0  0  0  0  0
   -2.4866    1.2301    4.3307 N   0  0  0  0  0
   -1.4977    2.0457    4.0468 C   0  0  0  0  0
   -1.4742    2.3574    2.7195 N   0  0  0  0  0
   -1.2053   -2.4521    0.6477 H   0  0  0  0  0
   -1.1676   -2.3047   -1.1339 H   0  0  0  0  0
   -2.9203   -0.9187    0.8243 H   0  0  0  0  0
   -3.1486   -1.0856   -0.9287 H   0  0  0  0  0
    0.0984    2.5903   -0.5120 H   0  0  0  0  0
    2.5076    2.0793   -0.2871 H   0  0  0  0  0
    3.2759   -0.2576    0.0207 H   0  0  0  0  0
    1.6297   -2.1217    0.0768 H   0  0  0  0  0
   -4.0097    0.3902    3.0746 H   0  0  0  0  0
   -0.7796    2.4425    4.7526 H   0  0  0  0  0
   -0.8267    2.9801    2.2533 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
 10 13  1  0  0  0
 10 12  2  0  0  0
 10 11  2  0  0  0
 13 14  2  0  0  0
 13 17  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
SMR000026956

>  <PubChem CID>
3238261

>  <Formula>
C11H11N3O2S

>  <Molecular Weight>
249.288000

>  <IUPAC Name>
1-(1H-imidazol-5-ylsulfonyl)-2,3-dihydroindole

>  <XlogP>
1.100

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CN=CN3

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C11H11N3O2S/c15-17(16,11-7-12-8-13-11)14-6-5-9-3-1-2-4-10(9)14/h1-4,7-8H,5-6H2,(H,12,13)

>  <InChI Key>
DMXKEAYPZQASHQ-UHFFFAOYSA-N

