Molecule FYI-1002892

A

Molecule Summary:

ID: FYI-1002892
Names:
InChIKey: WEOFIRPZWSUJBC-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c2cc(C(=O)NC1CCCCC1)c(S(=O)(=O)CCO)cc2Cl

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

Molecule ID: FYI-1002892 Edit

Molecule Structure InChIKey: WEOFIRPZWSUJBC-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c2cc(C(=O)NC1CCCCC1)c(S(=O)(=O)CCO)cc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002892
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6994    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1746    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8747    9.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  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
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002892-3D
FYIcenter.com

 47 48  0     0  0  0  0  0  0999 V2000
    4.5722    1.3772    1.0476 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4660    2.6620   -0.3340 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0783   -1.6702    0.0859 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255   -0.2324   -2.4042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1578    3.9752   -0.3906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873    2.2494   -1.3811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3961    3.3231    0.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839   -2.6976   -0.9002 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3729   -1.0077    0.0825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600   -0.7683   -0.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7824   -2.2968    1.6463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682   -1.2464   -0.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060   -0.9601    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9278   -2.7376   -1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8220   -1.8488    1.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7457   -3.6234    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7963   -3.3279    1.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7390   -0.2957   -1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    0.1343   -0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7903    1.4476   -0.2199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -0.8103   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3185    2.5566    1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8328   -0.4419   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0323    1.8160    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0535    0.8713    0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    3.5527    1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2623   -0.6932   -1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9597    0.0921    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0099   -1.1291    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1234   -2.9437   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8688   -3.0122   -1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6391   -1.6649    2.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8935   -1.5847    2.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7443   -3.4705    0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8077   -4.6773   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7846   -3.6271    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5954   -3.9301    2.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3865   -0.8326    0.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3997   -1.8316   -0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7005    1.5365    1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5913    2.7426    2.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    2.8354    0.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792    3.4671    2.2640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    4.5794    1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791   -3.2392    1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4648   -2.0832    2.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7233    2.4127    0.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  3 11  1  0  0  0  0
  3 23  1  0  0  0  0
  4 18  2  0  0  0  0
  7 26  1  0  0  0  0
  7 47  1  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 38  1  0  0  0  0
 11 45  1  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 24  2  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 26  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-09, 2723👍, 0💬