Molecule FYI-1007814

A

Molecule Summary:

ID: FYI-1007814
Names:
InChIKey: SSCAONIIPFXJDX-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2CCc3ccc(C(=O)O)cc3

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007814 Edit

Molecule Structure InChIKey: SSCAONIIPFXJDX-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2CCc3ccc(C(=O)O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007814
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.6063    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8187    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8187    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6063    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3939    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3939    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1815    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9690    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7566    3.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4777    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1714    3.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2408    2.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0783    3.7718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0313    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2437    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0313    7.8985    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  2  0  0  0  0
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 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007814-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.2412    0.6970   -1.2857 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5862    0.0133    0.1031 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1938    0.6946    1.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -0.0029   -0.1217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016   -1.6396    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687   -1.8587   -0.0162 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0695   -3.1637   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853   -4.2585    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049   -4.0280    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -2.7104    0.0683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1652   -5.2839    0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1283   -6.2809    0.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -7.7150    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6593   -8.5551   -0.3794 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7467   -8.0573    0.7035 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3742   -5.6390    0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6462   -6.3691   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8801   -5.7461    0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1358   -6.5739    0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9494   -6.3846   -0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1088   -7.1390   -0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4677   -8.1007    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6927   -8.8995   -0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6253   -8.4825   -0.7926 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6552  -10.1472    0.3853 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5166    0.7916   -1.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624   -1.0219   -0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1399   -3.2674   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317   -2.5369    0.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0918   -5.4338    0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2924   -7.3139    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7306   -6.9748   -1.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7881  -10.4281    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9302   -7.6332    2.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 158👍, 0💬