Molecule FYI-1015317

A

Molecule Summary:

ID: FYI-1015317
Names:
InChIKey: ISDPLGVQFLDBCC-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc2ccc(NCC1=C(O)CCCC1=O)c(S(=O)=O)c2

Received at FYIcenter.com on: 2025-08-04

Molecule ID: FYI-1015317 Edit

Molecule Structure InChIKey: ISDPLGVQFLDBCC-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc2ccc(NCC1=C(O)CCCC1=O)c(S(=O)=O)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015317
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1988    3.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    2.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699    4.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491    5.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    4.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    6.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1774   10.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7525   10.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5441   10.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    6.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 22 23  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015317-3D
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.5903    2.9601    0.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253    1.2305    0.5493 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0273    0.8278    1.3919 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583    0.5282    0.5755 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4018    1.2319   -1.0746 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7890    1.2758   -1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784    0.1289   -1.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9348    0.2081   -1.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5467    1.4212   -2.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8791    1.4601   -2.4674 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8854    0.5014   -1.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5111   -0.2539   -3.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2345   -0.1493   -4.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2339    0.6751   -4.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804   -0.8574   -5.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3771   -1.2457   -5.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3107   -2.0180   -3.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5458   -1.2553   -2.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7117   -1.5038   -1.5019 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6948    2.5391   -2.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2353    4.0883   -2.8291 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0636   -0.2024   -6.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7136    3.3646   -1.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  2  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  2  0  0  0  0
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 10 31  1  0  0  0  0
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 21 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-08-18, 383👍, 0💬