Molecule FYI-1009232

A

Molecule Summary:

ID: FYI-1009232
Names:
InChIKey: NMPOBLOAFMYFMF-UHFFFAOYSA-N
SMILES: CC(=O)c3ccc(NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)cc3

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009232 Edit

Molecule Structure InChIKey: NMPOBLOAFMYFMF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c3ccc(NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009232
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  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  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009232-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.6981   -0.7272    8.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8933   -2.2240    8.3217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2759   -2.7821    9.3469 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6235   -3.0264    7.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1468   -2.4563    5.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9519   -3.2546    4.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -4.6203    4.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031   -5.4325    3.6620 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4361   -5.5337    2.6201 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9979   -6.3040    1.4749 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163   -4.2191    2.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5615   -6.5500    3.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6014   -5.9634    4.2625 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3986   -6.7623    5.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1454   -8.1394    5.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0809   -8.7274    4.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285   -7.9259    3.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7355  -10.0875    4.7347 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6754  -10.7902    4.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2779  -10.7616    5.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7425  -11.7215    6.3744 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6356  -10.2739    6.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3591  -11.0620    6.9305 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9562   -8.9443    6.0748 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606   -8.4136    6.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -5.1977    6.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8746   -4.4039    7.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9383   -1.3924    5.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119   -2.7930    3.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260   -5.3969    3.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751   -4.8898    4.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8922  -11.0748    4.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1051  -11.7102    3.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7654   -9.2042    7.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8734   -7.7149    7.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7842   -7.9137    5.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677   -6.2646    6.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2388   -4.8660    8.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1493👍, 0💬