Molecule FYI-1002893

A

Molecule Summary:

ID: FYI-1002893
Names:
InChIKey: YZJMQWTUVKKLNZ-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1)c(S(=O)(=O)Cc2ccccc2)cc3Cl

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002893 Edit

Molecule Structure InChIKey: YZJMQWTUVKKLNZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)NC1CCCCC1)c(S(=O)(=O)Cc2ccccc2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002893
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.0622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    8.4870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    6.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6373    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    4.6621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2373    7.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7372    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8372    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 11 12  2  0  0  0  0
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002893-3D
FYIcenter.com

 53 55  0     0  0  0  0  0  0999 V2000
    3.7111   -3.5021   -0.9286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0299   -1.6054    0.7649 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0882   -0.6361   -0.3412 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3983    1.2104    2.4696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -3.0313    0.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -0.6581    1.7811 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5111    0.4589    0.5173 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7903   -1.9089   -0.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180    1.8815    0.3110 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0402   -0.0880   -1.9575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955    3.0440    0.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0003    4.2775    0.8379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176    3.2990   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    4.7977   -0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4917    3.8209   -1.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6132    5.0546   -1.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4698    1.0537    1.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2581   -0.0839    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -1.3235    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6162    0.1096    0.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267   -1.1724   -0.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422   -2.3695   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874   -0.9365   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8004   -2.1761   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984   -1.3866   -0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0459   -0.4939    0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9215   -2.4788   -1.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4168   -0.6932    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2924   -2.6782   -1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0400   -1.7853   -0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3583    2.8317    1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5773    5.0749    1.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    4.0558    1.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929    2.3822   -0.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7135    4.0378    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    4.0726   -0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0846    5.7244   -0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3375    4.0688   -2.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    3.0368   -2.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276    5.8883   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996    5.3601   -2.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0478    1.6961   -0.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0564    1.0843    0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -0.1279   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140   -1.8059   -1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9909   -3.3365   -0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829    0.3721    0.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3510   -3.1832   -1.7909 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236    0.9081   -2.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4138   -0.7108   -2.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9996    0.0041    0.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7777   -3.5286   -1.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1074   -1.9400   -0.1322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 19  1  0  0  0  0
  2 21  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 17  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 42  1  0  0  0  0
 10 49  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 43  1  0  0  0  0
 21 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 24  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 29  2  0  0  0  0
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 822👍, 0💬