
 SCHEMBL1278988

 49 51  0  0  0  0  0  0  0  0999 V2000
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    0.2859   -2.3432    0.3524 C   0  0  0  0  0
    1.4212   -3.2319    0.8755 C   0  0  0  0  0
    2.4617   -2.4392    1.6699 C   0  0  0  0  0
    2.9543   -1.2059    0.9191 C   0  0  0  0  0
    1.8180   -0.2916    0.4372 C   0  0  0  0  0
    1.0858    0.4579    1.5697 C   0  0  0  0  0
    2.0235    1.2354    2.4313 N   0  0  0  0  0
    2.2940    2.6048    1.9261 C   0  0  0  0  0
    3.5847    3.2444    2.3763 C   0  0  0  0  0
    4.8155    2.8470    1.8275 C   0  0  0  0  0
    6.0010    3.4545    2.2417 C   0  0  0  0  0
    5.9645    4.4460    3.2143 C   0  0  0  0  0
    4.7594    4.8497    3.7795 C   0  0  0  0  0
    3.5719    4.2545    3.3554 C   0  0  0  0  0
    7.1048    5.0242    3.6158 F   0  0  0  0  0
    1.8097    1.0286    4.1153 S   0  0  0  0  0
    1.5273   -0.3692    4.3692 O   0  0  0  0  0
    2.8841    1.6864    4.8258 O   0  0  0  0  0
    0.3481    1.8563    4.7348 C   0  0  0  0  0
   -0.0270    2.1367    6.0378 C   0  0  0  0  0
   -1.2837    2.8026    6.1178 C   0  0  0  0  0
   -1.8324    3.0070    4.8723 C   0  0  0  0  0
   -0.8504    2.3654    3.6305 S   0  0  0  0  0
    0.9263   -4.3791    1.7300 C   0  0  0  0  0
    1.4520   -5.4783    1.8086 O   0  0  0  0  0
   -0.1273   -4.0763    2.5069 O   0  0  0  0  0
    1.3091   -1.4526   -1.3165 H   0  0  0  0  0
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    2.3285    2.5770    0.8287 H   0  0  0  0  0
    4.8519    2.0604    1.0781 H   0  0  0  0  0
    6.9561    3.1571    1.8204 H   0  0  0  0  0
    4.7557    5.6112    4.5507 H   0  0  0  0  0
    2.6368    4.5629    3.8176 H   0  0  0  0  0
    0.5864    1.8660    6.8891 H   0  0  0  0  0
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   -2.7714    3.4892    4.6335 H   0  0  0  0  0
   -0.2525   -4.8751    3.0621 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1278988

>  <PubChem CID>
57944958

>  <Formula>
C19H22FNO4S2

>  <Molecular Weight>
411.506000

>  <IUPAC Name>
4-[[(4-fluorophenyl)methyl-thiophen-2-ylsulfonylamino]methyl]cyclohexane-1-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)C(=O)O

>  <Isomeric SMILES>
C1CC(CCC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C19H22FNO4S2/c20-17-9-5-15(6-10-17)13-21(27(24,25)18-2-1-11-26-18)12-14-3-7-16(8-4-14)19(22)23/h1-2,5-6,9-11,14,16H,3-4,7-8,12-13H2,(H,22,23)

>  <InChI Key>
BZJHTCNPHGTRNV-UHFFFAOYSA-N

