3240530
  -OEChem-05062403192D

 52 57  0     0  0  0  0  0  0999 V2000
   10.0586   -1.1889    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1488   -0.7521    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3003    2.4705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7290   -0.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3882   -1.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3166   -0.5185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1391    1.1854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.1840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    2.7228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1604   -0.6456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3546   -1.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327    0.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7842    1.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6231   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5262    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3650   -0.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0907    1.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8311    0.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8370    0.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8006   -1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    2.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7522   -1.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    3.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5910   -2.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    3.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4942   -2.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3330   -3.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2846   -3.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9626    1.4286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2735    1.5106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4941    1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0486    0.0778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2936   -0.6807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1007    0.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557    0.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8758   -1.2068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6552   -1.3738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7664   -0.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375    0.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2308    0.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9027   -0.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0010   -3.0277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    2.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    3.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2030   -4.1138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7446   -3.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  1 22  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  2  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 20  2  0  0  0  0
  9 23  1  0  0  0  0
 10 25  2  0  0  0  0
 11 30  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 27  2  0  0  0  0
 23 26  2  0  0  0  0
 24 28  1  0  0  0  0
 24 46  1  0  0  0  0
 25 30  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 27 31  1  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3240530

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
830

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sABgAAAAAAAAAAAAAAAAAWLFgAA8YIAAAAAWAFgB/gAAHgQAQAAADQjB1gQx0bcMEAKoASVydHDCgD0hEqAJ2D04dJiIaLLAmZGUIAxohwLIyCcUAAAKAAAAACAAASAAAAAAQAACQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

> <PUBCHEM_IUPAC_NAME>
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-piazthiol-4-ylsulfonyl-4-piperidyl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H20N6O3S2/c28-20(27-13-12-26-17-6-2-1-4-15(17)22-21(26)27)14-8-10-25(11-9-14)32(29,30)18-7-3-5-16-19(18)24-31-23-16/h1-7,14H,8-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
GSSFOYNEDBNZSU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
468.10383087

> <PUBCHEM_MOLECULAR_FORMULA>
C21H20N6O3S2

> <PUBCHEM_MOLECULAR_WEIGHT>
468.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1C(=O)N2CCN3C2=NC4=CC=CC=C43)S(=O)(=O)C5=CC=CC6=NSN=C65

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1C(=O)N2CCN3C2=NC4=CC=CC=C43)S(=O)(=O)C5=CC=CC6=NSN=C65

> <PUBCHEM_CACTVS_TPSA>
138

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
468.10383087

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  25  8
11  30  8
2  10  8
2  11  8
21  23  8
21  24  8
22  25  8
22  27  8
23  26  8
24  28  8
25  30  8
26  29  8
27  31  8
28  29  8
30  32  8
31  32  8
8  20  8
8  21  8
9  20  8
9  23  8

$$$$