Molecule FYI-1009251

A

Molecule Summary:

ID: FYI-1009251
Names:
InChIKey: JOJJOXQHWKFXOL-UHFFFAOYSA-N
SMILES: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)NNC(=S)NC1CCCCC1)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009251 Edit

Molecule Structure InChIKey: JOJJOXQHWKFXOL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c(=O)n(C)c2cc(S(=O)(=O)NNC(=S)NC1CCCCC1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009251
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   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
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.0000    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
   15.7617    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  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  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  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
 20 18  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 21  8  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  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
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009251-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    1.8137    0.4511   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101   -0.3087    0.3081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008    0.1015    1.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281    1.0539    1.5676 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8175   -0.6813    2.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3236   -0.3027    3.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6528   -1.7933    2.6670 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9655   -2.5236    3.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2199   -2.1906    1.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531   -3.3227    1.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432   -3.6999    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7746   -5.0701    0.1173 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958   -4.8700   -0.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2573   -5.2805    1.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753   -6.3681   -0.2698 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2422   -7.7242   -0.0527 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5640   -8.8207   -0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2923   -8.6817   -1.6447 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0949  -10.0046   -0.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8237  -11.3638   -0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992  -11.9440   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2609  -13.3290   -0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040  -14.2866   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7620  -13.7115   -0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9748  -12.3021   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4244   -2.9485   -1.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812   -1.8347   -0.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9671   -1.4431    0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502    1.2990   -0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135   -0.1989   -1.6215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.8515   -1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4948   -2.0782    4.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0481   -2.5120    4.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019   -3.5519    3.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7853  -11.3069   -1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6534  -11.2978   -0.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180  -12.0150    1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1629  -13.2378   -1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3157  -13.7409   -0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2442  -15.2407   -0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990  -14.5014    0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383  -13.6845   -1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5637  -14.3680   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9299  -11.9071   -0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588  -12.3505    0.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9125   -3.2069   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4362   -1.2720   -1.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1156👍, 0💬