Molecule FYI-1002876

A

Molecule Summary:

ID: FYI-1002876
Names:
InChIKey: RFMRCPYSBXEKPD-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c3cc(C(=O)NCc1ccccc1)c(S(=O)(=O)c2ccccc2)cc3Cl

Received at FYIcenter.com on: 2023-04-25

Molecule ID: FYI-1002876 Edit

Molecule Structure InChIKey: RFMRCPYSBXEKPD-UHFFFAOYSA-N

Molecule Structure SMILES String: NS(=O)(=O)c3cc(C(=O)NCc1ccccc1)c(S(=O)(=O)c2ccccc2)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1002876
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.1124    6.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    8.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    9.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    8.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    6.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9000    3.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    7.2746    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
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 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 17 20  2  0  0  0  0
 11 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002876-3D
FYIcenter.com

 47 49  0     0  0  0  0  0  0999 V2000
    4.7110    2.0248    0.1825 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2984    1.1778   -1.5865 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0293   -1.1241    0.8446 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206    0.0826   -1.8487 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1078    2.0609   -2.6690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434   -2.3626   -1.9659 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0874   -2.5339    0.4927 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1329   -0.2419    0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6874   -1.9812    0.1652 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7086   -0.9814    2.5155 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    0.5263   -0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -0.8332   -0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584   -0.4526    0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4981   -1.3225   -0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    1.3963   -0.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0920    2.1643   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4288    0.9069   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -1.7720   -0.8757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016   -2.8975    0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086    1.5802    0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992    3.5243   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1184   -2.2003    0.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327    2.3564    1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
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  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
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 19 22  1  0  0  0  0
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 20 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 37  1  0  0  0  0
 22 26  2  0  0  0  0
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 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
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 30 47  1  0  0  0  0
M  END
$$$$

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2023-05-09, 565👍, 0💬