Molecule FYI-1006749

A

Molecule Summary:

ID: FYI-1006749
Names:
InChIKey: AAAACXMLTLGVQN-UHFFFAOYSA-N
SMILES: Cc3cc(S(=O)(=O)NN2C(=O)NC1(CCC1)C2=O)c(Cl)cc3Cl

Received at FYIcenter.com on: 2024-01-13

Molecule ID: FYI-1006749 Edit

Molecule Structure InChIKey: AAAACXMLTLGVQN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(S(=O)(=O)NN2C(=O)NC1(CCC1)C2=O)c(Cl)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006749
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.6726    7.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    6.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4601    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4601    4.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477    3.4922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    2.2798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9477    2.2798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    3.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6726    2.0922    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    4.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    5.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0974    6.2922    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0352    4.1922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    3.4922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5438    4.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527    5.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    3.0212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070    1.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087    0.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6764    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7168    1.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006749-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.5830    2.2550    1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    1.6787    1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    2.3116    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071    1.8173    0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4325    2.8014    0.0323 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3258    4.1318    0.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    2.5756   -1.3867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822    2.1876    0.3983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0353    2.8831   -0.3419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5432    4.1388   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2088    4.9034    0.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5610    4.4338   -0.9332 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5251    3.4619   -2.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2866    4.2074   -3.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8344    4.2742   -3.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8604    2.9865   -2.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5527    2.3434   -1.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3220    1.2068   -1.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4130    0.6688    1.6004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9367   -0.0882    1.8665 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3057    0.0329    2.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904    0.5326    2.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925   -0.3096    2.7776 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5467    3.1287    0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2384    1.5184    0.5557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0191    2.5801    1.9807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568    3.2139    0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9832    1.1969    0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8492    5.4028   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7951    3.6132   -4.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7973    5.1854   -3.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2474    4.2087   -4.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3001    5.1250   -3.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7472    2.0828   -3.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7096    2.8397   -2.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4521   -0.8625    2.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-24, 1193👍, 0💬