
 MLS000705653

 50 51  0  0  0  0  0  0  0  0999 V2000
    8.0028   -1.4463    1.0934 C   0  0  0  0  0
    9.1772   -0.5998    0.6254 C   0  0  0  0  0
    9.6264    0.3800    1.7105 C   0  0  0  0  0
   10.8221    1.2466    1.2999 C   0  0  0  0  0
   10.6160    2.1248    0.0622 C   0  0  0  0  0
    9.4546    3.1117    0.1875 C   0  0  0  0  0
    9.3542    3.8755   -1.0632 N   0  0  0  0  0
    8.1406    5.0375   -1.1858 S   0  0  0  0  0
    7.9593    5.2737   -2.6008 O   0  0  0  0  0
    7.0444    4.6314   -0.3345 O   0  0  0  0  0
    8.9012    6.4861   -0.5066 C   0  0  0  0  0
   10.0253    7.0390   -1.1248 C   0  0  0  0  0
   10.5914    8.2130   -0.6096 C   0  0  0  0  0
   10.0338    8.8439    0.5118 C   0  0  0  0  0
    8.9049    8.2751    1.1113 C   0  0  0  0  0
    8.3380    7.1003    0.6092 C   0  0  0  0  0
   10.6465   10.0260    0.9773 N   0  0  0  0  0
   10.2458   10.8099    2.0470 C   0  0  0  0  0
    9.2516   10.6349    2.7462 O   0  0  0  0  0
   11.1514   12.0312    2.2631 C   0  0  0  0  0
   11.2135   12.4119    3.7351 C   0  0  0  0  0
   12.5467   13.1016    3.8317 C   0  0  0  0  0
   13.3852   12.2947    2.8655 C   0  0  0  0  0
   12.5056   11.8351    1.8257 O   0  0  0  0  0
    7.7087   -2.1522    0.3102 H   0  0  0  0  0
    7.1368   -0.8177    1.3250 H   0  0  0  0  0
    8.2614   -2.0198    1.9889 H   0  0  0  0  0
    8.8755   -0.0609   -0.2788 H   0  0  0  0  0
   10.0101   -1.2576    0.3516 H   0  0  0  0  0
    9.9104   -0.1879    2.6058 H   0  0  0  0  0
    8.7869    1.0181    2.0087 H   0  0  0  0  0
   11.6853    0.5936    1.1190 H   0  0  0  0  0
   11.0933    1.8872    2.1481 H   0  0  0  0  0
   10.4723    1.4912   -0.8215 H   0  0  0  0  0
   11.5423    2.6841   -0.1233 H   0  0  0  0  0
    9.6248    3.7908    1.0292 H   0  0  0  0  0
    8.5202    2.5658    0.3472 H   0  0  0  0  0
    9.4293    3.3540   -1.9369 H   0  0  0  0  0
   10.4537    6.5702   -2.0078 H   0  0  0  0  0
   11.4632    8.6325   -1.1061 H   0  0  0  0  0
    8.4296    8.7226    1.9783 H   0  0  0  0  0
    7.4528    6.6900    1.0901 H   0  0  0  0  0
   11.4987   10.3347    0.5170 H   0  0  0  0  0
   10.7377   12.8566    1.6710 H   0  0  0  0  0
   11.2134   11.5179    4.3719 H   0  0  0  0  0
   10.3738   13.0407    4.0456 H   0  0  0  0  0
   12.4536   14.1358    3.4808 H   0  0  0  0  0
   12.9572   13.1187    4.8449 H   0  0  0  0  0
   14.1970   12.8829    2.4284 H   0  0  0  0  0
   13.8145   11.4135    3.3536 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
 15 41  1  0  0  0
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 17 18  1  0  0  0
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 18 19  2  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
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 23 50  1  0  0  0
M  END

>  <Chemical Name>
MLS000705653

>  <PubChem CID>
5132730

>  <Formula>
C17H26N2O4S

>  <Molecular Weight>
354.465000

>  <IUPAC Name>
N-[4-(hexylsulfamoyl)phenyl]oxolane-2-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2

>  <Isomeric SMILES>
CCCCCCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCCO2

>  <InChI Std. ID>
InChI=1S/C17H26N2O4S/c1-2-3-4-5-12-18-24(21,22)15-10-8-14(9-11-15)19-17(20)16-7-6-13-23-16/h8-11,16,18H,2-7,12-13H2,1H3,(H,19,20)

>  <InChI Key>
APXMICVTOJLGHL-UHFFFAOYSA-N

