
 SCHEMBL1614927

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.0825   -1.4705    1.5680 C   0  0  0  0  0
    4.2349   -2.2062    0.2637 C   0  0  0  0  0
    5.5197   -2.6059   -0.1387 C   0  0  0  0  0
    5.7160   -3.2730   -1.3482 C   0  0  0  0  0
    4.6327   -3.5492   -2.1758 C   0  0  0  0  0
    3.3459   -3.1613   -1.8005 C   0  0  0  0  0
    3.1444   -2.4910   -0.5860 C   0  0  0  0  0
    1.5020   -1.9947   -0.0996 S   0  0  0  0  0
    1.1860   -2.6814    1.1336 O   0  0  0  0  0
    1.4561   -0.5504   -0.1996 O   0  0  0  0  0
    0.4651   -2.5460   -1.3279 N   0  0  0  0  0
   -0.2977   -3.7041   -1.1485 C   0  0  0  0  0
    0.1095   -4.9282   -0.6825 C   0  0  0  0  0
   -1.0149   -5.7001   -0.5950 N   0  0  0  0  0
   -2.1120   -5.0986   -1.1051 N   0  0  0  0  0
   -1.6728   -3.8752   -1.4215 C   0  0  0  0  0
   -1.0979   -7.0465   -0.0442 C   0  0  0  0  0
   -1.1818   -7.0053    1.4386 C   0  0  0  0  0
   -0.1536   -7.0561    2.3589 C   0  0  0  0  0
   -0.6663   -7.0024    3.6152 O   0  0  0  0  0
   -2.0394   -6.9025    3.5512 N   0  0  0  0  0
   -2.3469   -6.8920    2.2493 C   0  0  0  0  0
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    1.0733   -5.2882   -0.3562 H   0  0  0  0  0
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   -1.9711   -7.5382   -0.4864 H   0  0  0  0  0
   -3.9461   -7.2573    0.8773 H   0  0  0  0  0
   -4.0306   -5.7035    1.7307 H   0  0  0  0  0
   -4.4338   -7.2120    2.5735 H   0  0  0  0  0
    1.6848   -6.8041    1.3068 H   0  0  0  0  0
    1.6364   -8.1902    2.4054 H   0  0  0  0  0
    1.7918   -6.5438    3.0505 H   0  0  0  0  0
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  1 25  1  0  0  0
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  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
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  7  8  1  0  0  0
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  8 10  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1614927

>  <PubChem CID>
57944955

>  <Formula>
C16H18N4O3S

>  <Molecular Weight>
346.405000

>  <IUPAC Name>
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzenesulfonamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC=C1S(=O)(=O)NC2=CN(N=C2)CC3=C(ON=C3C)C

>  <Isomeric SMILES>
CC1=CC=CC=C1S(=O)(=O)NC2=CN(N=C2)CC3=C(ON=C3C)C

>  <InChI Std. ID>
InChI=1S/C16H18N4O3S/c1-11-6-4-5-7-16(11)24(21,22)19-14-8-17-20(9-14)10-15-12(2)18-23-13(15)3/h4-9,19H,10H2,1-3H3

>  <InChI Key>
AKGHODUNFISKBQ-UHFFFAOYSA-N

