55630228
  -OEChem-05092423122D

 62 65  0     0  0  0  0  0  0999 V2000
    6.1239    3.1897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701   -4.6581    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1239    3.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1239    3.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489   -2.8981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -5.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3611   -4.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3918   -0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    4.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823   -5.4672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239   -0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    6.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    5.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    5.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    4.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    4.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    7.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -5.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -6.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.1716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -7.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -7.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579   -3.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579   -3.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0669   -2.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    6.4997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    5.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    6.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0458    6.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473    5.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2020    4.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    4.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473    4.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0458    4.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7439    7.1897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    7.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5039    7.1897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7587   -4.7666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0305   -5.0908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -6.8267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5030   -6.0340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -5.7256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -6.5183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2304   -7.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585   -7.4615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8052   -7.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500   -7.7037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5269    1.9997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7209    1.9997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1223   -4.3507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7209    0.3797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6566   -2.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608   -1.1203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  9  1  0  0  0  0
  1 23  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  2 24  1  0  0  0  0
  5 24  1  0  0  0  0
  5 31  1  0  0  0  0
  8 33  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 30  1  0  0  0  0
 11 33  1  0  0  0  0
 11 62  1  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 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 20  1  0  0  0  0
 18 46  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 48  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 55  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 25 56  1  0  0  0  0
 26 29  2  0  0  0  0
 26 57  1  0  0  0  0
 27 32  1  0  0  0  0
 27 58  1  0  0  0  0
 28 30  2  0  0  0  0
 28 59  1  0  0  0  0
 29 30  1  0  0  0  0
 29 60  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55630228

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
876

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABgAAAAAAAAAAAAAAAAASAAAAA8WIAAAAAAAAABwAAAHgQQQAAADQzB0AQyxYLABEKIAKVSUHLCCBAlIgAIiBnObMgOJjLEtb+HOSjk1BHY6YeYFwIKAAQAAAAAAAAACAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-5-(1-piperidylsulfonyl)furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-5-(1-piperidinylsulfonyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-piperidin-1-ylsulfonyl-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-(4-methylpiperidino)sulfonylphenyl]-5-piperidinosulfonyl-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H29N3O6S2/c1-17-11-15-25(16-12-17)32(27,28)19-7-5-18(6-8-19)23-22(26)20-9-10-21(31-20)33(29,30)24-13-3-2-4-14-24/h5-10,17H,2-4,11-16H2,1H3,(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
DWILPFCAFLWGEJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
495.14977800

> <PUBCHEM_MOLECULAR_FORMULA>
C22H29N3O6S2

> <PUBCHEM_MOLECULAR_WEIGHT>
495.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)S(=O)(=O)N4CCCCC4

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
495.14977800

> <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>
23  25  8
23  26  8
24  27  8
25  28  8
26  29  8
27  32  8
28  30  8
29  30  8
31  32  8
5  24  8
5  31  8

$$$$