Molecule FYI-1001815

Home > Molecule

A

Molecule Summary:

ID: FYI-1001815
SMILES: CCCN(CC)C(=O)C1=CC(=CC=C1Cl)S(=O)(=O)NC1=CC=CC=C1

Received at FYIcenter.com on: 2022-12-14

Molecule ID: FYI-1001815 Edit

Molecule Structure SMILES String: CCCN(CC)C(=O)C1=CC(=CC=C1Cl)S(=O)(=O)NC1=CC=CC=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001815
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001815-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    2.6740   -3.4989    2.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996   -4.0045    0.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068   -3.4604   -0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568   -3.6807   -0.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0055   -5.0017   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0937   -6.2153   -0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2512   -2.5364    0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552   -1.4265    0.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7422   -2.6078    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4259   -3.2560   -0.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8175   -3.3674   -0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5664   -2.6639    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8997   -1.9458    1.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4959   -1.9526    1.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7909   -1.1796    2.5185 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6340   -4.4409   -2.0175 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948   -4.7374   -3.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314   -3.8621   -2.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9053   -5.8312   -1.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8329   -6.6043   -0.5947 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1741   -7.5241   -1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1825   -8.3526   -0.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8279   -8.2439    0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4588   -7.2990    1.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   -6.4835    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0766   -3.9540    3.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -2.4129    2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7207   -3.7600    2.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -3.7255    0.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2128   -5.0960    0.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7914   -2.3899   -0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600   -3.9048   -1.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8641   -5.1762    0.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553   -4.9402   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8191   -6.4600    0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123   -7.0835   -0.8058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1904   -6.0834   -0.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8879   -3.6872   -1.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6543   -2.6722    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4786   -1.3947    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7738   -5.8094   -0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4508   -7.6269   -2.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6864   -9.0856   -1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0488   -8.8823    0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1626   -7.1964    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9544   -5.7635    1.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  2  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 820👍, 0💬