Molecule Editor

Molecule ID: FYI-1007424 Edit

Molecule Structure InChIKey: POFDPQACEBXYOE-OQPYTZTLSA-N

Molecule Structure SMILES String: O=C(N[C@H]2C(O)O[C@H](CNS(=O)(=O)c1cccc(Cl)c1)[C@@H](O)[C@@H]2O)c4cccc(c3ccccc3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007424
FYIcenter.com

 36 39  0  0  1  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  6  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 11  2  0  0  0  0
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 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 20 14  1  0  0  0  0
 21  8  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23  4  1  0  0  0  0
 23 24  1  1  0  0  0
 25  2  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
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 36 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007424-3D
FYIcenter.com

 61 64  0     1  0  0  0  0  0999 V2000
   -7.9749   -2.0219    2.6500 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7763   -0.1823   -1.9700 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7889   -1.6020   -2.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2145    0.7752   -2.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172    0.6311    0.2795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298    0.2626   -1.4138 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1239   -1.0126    0.6270 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.4928    0.4628    0.4537 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0995   -0.4476   -0.4411 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2844    1.0874   -0.7093 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6172   -0.4524   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949    1.7500    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.7672    0.0822   -0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7634    0.5932    0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7123    3.0082    0.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$