Molecule Editor

Molecule ID: FYI-1015311 Edit

Molecule Structure InChIKey: SXKYXTVNSAIHKU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)CCN3NCC(O)=C(C2=CS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1N2)C3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015311
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 23 17  2  0  0  0  0
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 27  9  2  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 30  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015311-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    6.6083    1.8385   -0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3959    0.9615   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7354    0.5018   -1.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8338   -0.2154    0.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6721   -1.1113    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1019   -2.2309    1.7328 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6071   -1.8971    3.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1361   -2.9902    3.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6848   -4.3682    3.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9093   -5.3691    4.3736 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9500   -8.0426    2.3225 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5284   -7.8592    2.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5051  -11.5217   -1.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5260  -12.7815   -0.9070 S   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
M  END
$$$$