
 SCHEMBL1037145

 55 57  0  0  0  0  0  0  0  0999 V2000
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    4.4830    1.0340   -3.3884 C   0  0  0  0  0
    4.6344    2.5604   -3.4599 C   0  0  0  0  0
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    6.1831    4.4664   -3.2551 N   0  0  0  0  0
    6.0215    5.3485   -2.2160 C   0  0  0  0  0
    6.2124    6.5946   -2.7710 C   0  0  0  0  0
    6.4853    6.4969   -4.1117 N   0  0  0  0  0
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    0.9627   -4.4145   -3.4342 Cl  0  0  0  0  0
    2.0340    1.7936   -9.4633 H   0  0  0  0  0
    3.5531    0.9306   -9.7382 H   0  0  0  0  0
    3.4042    2.0417   -8.3668 H   0  0  0  0  0
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    4.3800   -0.7085   -8.1241 H   0  0  0  0  0
    3.2032   -1.6385   -7.2159 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1037145

>  <PubChem CID>
58509147

>  <Formula>
C19H24Cl3N5O3S

>  <Molecular Weight>
508.843000

>  <IUPAC Name>
4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CN=C2Cl)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CN=C2Cl)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C19H24Cl3N5O3S/c1-12-2-6-26(7-3-12)18(28)16(4-8-27-9-5-24-19(27)22)25-31(29,30)13-10-14(20)17(23)15(21)11-13/h5,9-12,16,25H,2-4,6-8,23H2,1H3

>  <InChI Key>
RZLSSFILWYBGQK-UHFFFAOYSA-N

