Molecule FYI-1014580

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A

Molecule Summary:

ID: FYI-1014580
Names:
InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N
SMILES: O=S(=O)(c1cccc2cnccc12)N3CCCNCC3

Received at FYIcenter.com on: 2025-04-29

Molecule ID: FYI-1014580 Edit

Molecule Structure InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=S(=O)(c1cccc2cnccc12)N3CCCNCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014580
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.7715    1.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1558    2.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    3.2727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443    4.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    4.9887    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
    4.7452    2.8039    0.0000 C   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
    2.9373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014580-3D
FYIcenter.com

 37 39  0     1  0  0  0  0  0999 V2000
    0.4598    1.1937    0.3026 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1933    1.9256   -0.9183 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    1.8109    1.6072 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0014    0.4470    0.1666 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.0694    0.0538   -0.3765 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8191    0.5385   -0.5735 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1962   -0.3886   -1.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560    1.3309    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1132   -1.5612   -0.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4149    0.5347    0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6074   -1.2478   -0.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -0.1083    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0974    0.1408    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -1.3615    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0011   -0.9407    0.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1938   -2.4272    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763    1.4087   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5403   -2.2211    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3373   -0.6781   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9254    1.5499   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    0.2219   -1.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2431   -0.7869   -1.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041    1.9262    1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3351    2.0332   -0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8926   -2.3847   -1.4184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9037   -1.9413    0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1124    1.2246    1.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2219   -0.2706    1.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632   -2.0361   -0.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942   -1.3267   -1.9046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0773    0.0065   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -1.5545    0.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465   -3.4171    1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9799    2.3104   -0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267   -3.0637    0.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0850   -1.4663   -0.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3376    2.5189   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 31  1  0  0  0  0
  6 19  2  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 16 33  1  0  0  0  0
 17 20  2  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1173👍, 0💬