12005900
  -OEChem-05042418112D

 62 65  0     1  0  0  0  0  0999 V2000
    7.1254    1.9118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3934   -2.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1254    1.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1254    1.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5895    0.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254    0.9118    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.5274   -2.5882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9915    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594   -0.5882    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.3934   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254    2.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364   -4.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183   -4.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3424   -5.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7029   -3.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9915    4.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1254    4.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -5.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -5.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254    5.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    0.9944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488    0.3041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2594   -1.2082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4590    1.3867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1813   -0.5056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7828   -1.1959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1220   -0.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284    3.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    3.1018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6624   -0.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -6.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -6.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9088   -6.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7454    5.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5054    5.9118    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  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 11  1  0  0  0  0
  2 48  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  6 20  1  0  0  0  0
  6 59  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 19  2  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
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 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
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 15 23  2  0  0  0  0
 16 18  1  0  0  0  0
 16 24  2  0  0  0  0
 17 19  1  0  0  0  0
 17 25  2  0  0  0  0
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 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12005900

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
751

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABUAAAHgQESAAADBzh2AYyAYIQAgKgAyBiAHBCABAgAAAIiBgoAJgLMKKAERCEYAAigACZiAcAgMAOkAAAAAAQAAAgAAAAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxy-propyl]-N-(3-hydroxypropyl)-4-methyl-benzenesulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-(9-fluorenylideneamino)oxy-2-hydroxypropyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-<I>N</I>-(3-hydroxypropyl)-4-methylbenzenesulfonamide

> <PUBCHEM_IUPAC_NAME>
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-(fluoren-9-ylideneamino)oxy-2-oxidanyl-propyl]-4-methyl-N-(3-oxidanylpropyl)benzenesulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(fluoren-9-ylideneamino)oxy-2-hydroxy-propyl]-N-(3-hydroxypropyl)-4-methyl-benzenesulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H28N2O5S/c1-19-11-13-21(14-12-19)34(31,32)28(15-6-16-29)17-20(30)18-33-27-26-24-9-4-2-7-22(24)23-8-3-5-10-25(23)26/h2-5,7-14,20,29-30H,6,15-18H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
YAIYZBXJEQCEIX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
480.17189317

> <PUBCHEM_MOLECULAR_FORMULA>
C26H28N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
480.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CCCO)CC(CON=C2C3=CC=CC=C3C4=CC=CC=C42)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N(CCCO)CC(CON=C2C3=CC=CC=C3C4=CC=CC=C42)O

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
480.17189317

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
14  21  8
14  22  8
15  17  8
15  23  8
16  18  8
16  24  8
17  25  8
18  26  8
11  2  3
21  27  8
22  28  8
23  30  8
24  31  8
25  32  8
26  33  8
27  29  8
28  29  8
30  32  8
31  33  8

$$$$