Molecule Editor

Molecule ID: FYI-1013917 Edit

Molecule Structure InChIKey: HWKROQUZSKPIKQ-MRXNPFEDSA-N

Molecule Structure SMILES String: CC3CCN(CC[C@H]1CCCN1S(=O)(=O)c2cccc(O)c2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013917
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
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    7.0655    9.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    9.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    7.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    6.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    7.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.5491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    4.6123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1962    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5680    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8591    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 12  8  1  0  0  0  0
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 14 13  2  0  0  0  0
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 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22 16  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013917-3D
FYIcenter.com

 52 54  0     1  0  0  0  0  0999 V2000
    2.0445    0.8440    1.4954 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9130    0.5647    2.3591 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066    1.2898    2.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5908   -3.5637   -0.6464 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648    1.9155    0.2623 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5872    0.8120   -0.3249 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2206    1.7062   -0.3636 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3626    2.3284   -1.7514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    2.3728    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7877    1.9694   -2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    2.1990   -0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2338    2.2257   -0.1984 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 43  1  0  0  0  0
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M  END
$$$$