Molecule FYI-1014354

A

Molecule Summary:

ID: FYI-1014354
Names:
InChIKey: HNGWBCPNEWJHHT-UHFFFAOYSA-N;id
SMILES: CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1S(=O)(=O)c2ccccc2

Received at FYIcenter.com on: 2025-04-04

Molecule ID: FYI-1014354 Edit

Molecule Structure InChIKey: HNGWBCPNEWJHHT-UHFFFAOYSA-N;id

Molecule Structure SMILES String: CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1S(=O)(=O)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014354
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    4.2000    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.2125    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
    0.7000    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0497    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0497    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5999    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3  4  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
 12 14  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014354-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    8.5663    1.7926   -2.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4975    0.8889   -1.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9933    0.1676   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9148   -0.7535    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3559   -1.4207    1.4709 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4762   -2.1362    2.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2899   -2.2650    1.9545 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9923   -2.8270    3.4512 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4095   -4.0881    3.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7474   -4.8394    4.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553   -6.3977    5.0924 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2359   -7.4804    5.0829 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3719   -6.4262    6.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1905   -6.7244    3.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689   -4.3310    5.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1616   -5.1464    7.1926 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2506   -3.0817    5.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9167   -2.3222    4.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334   -0.7490    4.2033 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5038   -0.5390    5.4157 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4229   -0.8072    2.9251 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5713    0.5872    4.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3659    0.5016    4.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4867    1.5860    4.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8143    2.7441    4.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0256    2.8286    3.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9088    1.7493    3.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1767    2.3078   -3.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4446    1.2143   -2.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8848    2.5503   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1902    0.1553   -2.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6146    1.4901   -1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2844    0.9017    0.4681 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8932   -0.4155   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6493   -1.5271   -0.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054   -0.1874    0.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3584   -1.4419    1.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6772   -4.4849    2.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3203   -7.9282    5.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1249   -8.1417    4.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9738   -2.6976    6.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1018   -0.3764    5.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5459    1.5356    5.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1263    3.5869    4.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    3.7394    2.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8606    1.8288    2.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
$$$$

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2025-04-26, 872👍, 0💬