Molecule FYI-1002855

A

Molecule Summary:

ID: FYI-1002855
Names:
InChIKey: RJDMKEUKPUTKRX-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2cc(C(=O)NCc1ccccc1)c(Cl)cc2Cl

Received at FYIcenter.com on: 2023-04-24

Molecule ID: FYI-1002855 Edit

Molecule Structure InChIKey: RJDMKEUKPUTKRX-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2cc(C(=O)NCc1ccccc1)c(Cl)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002855
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    5.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.0999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002855-3D
FYIcenter.com

 34 35  0     0  0  0  0  0  0999 V2000
    4.6486   -1.8017    1.1265 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4046   -2.8847   -0.2868 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2416    1.2876    0.2619 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    2.6027    0.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1706    0.8371    1.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553   -0.3970   -2.0887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2332    1.0924   -0.3204 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9881    1.1372   -1.2663 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620    0.0986    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6838   -0.3939   -0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7313    0.5178   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066    1.6577   -0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5847    0.0900   -1.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6592    0.9070   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450   -1.2324    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -1.7249   -0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972   -2.1440    0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2257   -0.1676   -0.7883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1634    1.2844    1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2965   -0.8652   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2343    0.5868    1.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8006   -0.4881    1.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825    1.5497   -0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5866    1.6677   -1.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149    2.7032   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8087    1.4293    0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -3.1824    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -0.4710   -1.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7296    2.1187    1.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7379   -1.7017   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6268    0.8802    2.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    1.9067   -1.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9168    0.6996   -1.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6342   -1.0312    1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 19 21  2  0  0  0  0
 19 29  1  0  0  0  0
 20 22  2  0  0  0  0
 20 30  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 1633👍, 0💬