5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine ...
C17H16FN3O2S.C4H4O4
881681-01-2 Copyright (C) 2024 ACS
 32 33  0  0  0  0  0  0  0  0999 V2000
    4.0011   11.2590    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.2311    9.9252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7711   12.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3037   10.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9301   11.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4617   11.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1362    5.9446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   10.4890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0021    8.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    9.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3336   14.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0640    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3977    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7304    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7304    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0651    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
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M  END
> <cas.rn>
881681-01-2

> <cas.index.name>
1H-Pyrrole-3-methanamine, 5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-, (2E)-2-butenedioate (1:1)

> <molecular.formula>
C17H16FN3O2S.C4H4O4

> <molecular.weight>
461.47

> <melting.point.experimental>
201-203 °C

$$$$
