Molecule FYI-1017427

A

Molecule Summary:

ID: FYI-1017427
Names:
InChIKey: LYNBOMFOEQYFQU-FXBHHXAOSA-M
SMILES: N#CCC(=O)NN[C@H]/2C(=O)N(c1ccc(S(N)(=O)=O)cc1)C(=O)C2=C([O-])\\Nc3ccc(S(N)(=O)=O)cc3

Received at FYIcenter.com on: 2026-07-04

Molecule ID: FYI-1017427 Edit

Molecule Structure InChIKey: LYNBOMFOEQYFQU-FXBHHXAOSA-M

Molecule Structure SMILES String: N#CCC(=O)NN[C@H]/2C(=O)N(c1ccc(S(N)(=O)=O)cc1)C(=O)C2=C([O-])\Nc3ccc(S(N)(=O)=O)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1017427
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    3.4177   13.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087   14.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0401   15.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0806   14.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7895   12.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   12.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1669   10.9539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2074   10.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162    8.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7007   16.1404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6224   17.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  7  6  1  0  0  0  0
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  9  8  2  0  0  0  0
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 33  8  1  0  0  0  0
 34  3  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  2  0  0  0  0
 37 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017427-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    7.8129   -1.1418   -3.3792 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0322   -0.8787   -2.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910   -0.5616   -1.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6179    0.6387   -0.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2636    1.8128   -0.8380 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0282    1.5628    1.3454 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6177    1.4429    2.7518 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1642    0.1635    3.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738   -1.0059    3.3335 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2846   -0.2980    5.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0427   -1.5985    5.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9887   -2.4409    5.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1614   -1.9519    6.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3277   -3.0072    7.0565 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.4718   -3.7130    5.9205 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0851   -2.1690    8.0890 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5615   -4.1241    7.7691 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3973   -0.6681    5.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4220    0.2730    5.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5910    2.0977    3.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6563    2.7841    4.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
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 28 29  1  0  0  0  0
 28 37  2  0  0  0  0
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M  END
$$$$

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2026-07-13, 742👍, 0💬