Molecule Editor

Molecule ID: FYI-1016328 Edit

Molecule Structure InChIKey: OMYGGZQTVVDIJG-DPONRAIZSA-N

Molecule Structure SMILES String: COc3ccc([C@@H]2c1ccccc1S(=O)C[C@H](OC(C)=O)N2CCN(C)C)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016328
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
    0.0000    2.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3979    1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4924    0.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7957    1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043    2.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098    3.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6065    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3075    3.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3337    2.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8223    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4182    3.8189    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3602    6.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4547    7.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7580    7.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2461    9.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121    4.7461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997    5.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997    6.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9873    7.5461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7748    6.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9873    8.9461    0.0000 C   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
 24  9  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016328-3D
FYIcenter.com

 57 59  0  0  1  0  0  0  0  0999 V2000
    9.3046    2.2019   -0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003    3.2734   -0.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7904    3.3805    0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0862    2.6522    1.8622 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    2.8626    3.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2967    3.7945    3.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960    3.7853    4.2958 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5740    5.0549    4.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823    6.3224    4.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4527    7.4995    4.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961    7.4333    5.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.1923    5.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2707    4.9981    5.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    3.5865    5.9501 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.0167    4.0831    7.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    2.1478    6.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7373    1.8486    5.5532 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3197    0.6947    6.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7800   -0.5030    5.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3856   -1.6328    6.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -0.6603    5.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7248    2.9249    5.4275 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0973    3.6781    6.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8795    3.0182    7.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1678    2.3419    7.5564 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$