654092
  -OEChem-04252422272D

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    4.7203   -1.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1437    0.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   -1.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7297    0.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3027    1.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9547   -0.5991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9188   -0.5991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4367    1.1018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9367   -1.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2518   -2.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6217   -2.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2636    0.4371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6734    0.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0482   -1.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8072   -1.6702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0662   -1.6702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8252   -1.9136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2001    0.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6098    0.4371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1475    0.8954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910   -1.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2813   -1.7475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4514   -0.4647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  9  1  0  0  0  0
  2 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 60  1  0  0  0  0
  8 11  1  0  0  0  0
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 13 17  1  0  0  0  0
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 13 39  1  0  0  0  0
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 16 19  1  0  0  0  0
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 16 45  1  0  0  0  0
 17 20  1  0  0  0  0
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 25 29  1  0  0  0  0
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 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
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 30 56  1  0  0  0  0
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 33 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
654092

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
870

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAAAAAAAAAAAAAAAAYAAAAA8eIEAAAAAAGABQAAAHAQESAAADAjBWAQwAYIQAAKgAyBiAHBCABAgAAAIiBgoAJgIIKKAkRCEIAAggACIiAcQgMAOkAAAgAAQAAAgAAEAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,7-bis(1-piperidylsulfonyl)fluoren-9-one oxime

> <PUBCHEM_IUPAC_CAS_NAME>
2,7-bis(1-piperidinylsulfonyl)-9-fluorenone oxime

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine

> <PUBCHEM_IUPAC_NAME>
N-[2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2,7-bis(piperidin-1-ylsulfonyl)fluoren-9-ylidene]hydroxylamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,7-bis(piperidinosulfonyl)fluoren-9-one oxime

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27N3O5S2/c27-24-23-21-15-17(32(28,29)25-11-3-1-4-12-25)7-9-19(21)20-10-8-18(16-22(20)23)33(30,31)26-13-5-2-6-14-26/h7-10,15-16,27H,1-6,11-14H2

> <PUBCHEM_IUPAC_INCHIKEY>
XYZXEEIUKQGUHB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
489.13921332

> <PUBCHEM_MOLECULAR_FORMULA>
C23H27N3O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
489.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCCCC5

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
489.13921332

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
21  27  8
21  30  8
22  28  8
22  31  8
23  25  8
23  32  8
24  26  8
24  33  8
25  27  8
26  28  8
30  32  8
31  33  8

$$$$