Molecule FYI-1008630

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A

Molecule Summary:

ID: FYI-1008630
Names:
InChIKey: OQZITBXEUXWSRF-UHFFFAOYSA-N
SMILES: Cc1onc(N)c1S(=O)(=O)NC(C)C

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008630 Edit

Molecule Structure InChIKey: OQZITBXEUXWSRF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1onc(N)c1S(=O)(=O)NC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008630
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.0655    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.3291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.0291    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1281    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    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  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008630-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
   -0.5994    0.9773   -0.9692 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5936   -0.1955    1.0393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8418    2.2193   -0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826    0.9865   -2.4032 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -0.1297   -0.6105 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4426   -1.3169    0.2327 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514   -1.8864   -1.4645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1485   -0.4547    0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    0.1993   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9219   -1.9417    1.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5867   -0.0520    1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6156    0.7002    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3711   -1.0579   -0.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    1.9522    1.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.1124    1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673   -0.8569   -1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5335   -2.5496    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8772   -2.2182    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1806   -2.2171    2.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2894   -0.5855    0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7312    1.0207    0.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8512   -0.2696    2.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7188    2.0516    2.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4831    1.9881    2.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080    2.8156    0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0339   -1.6521   -2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604   -2.7942   -1.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  2  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2024-06-03, 900👍, 0💬