
 SCHEMBL1075128

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1075128

>  <PubChem CID>
58509301

>  <Formula>
C19H24Cl3N5O3S

>  <Molecular Weight>
508.843000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C(=CC=N2)Cl)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C(=CC=N2)Cl)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C19H24Cl3N5O3S/c1-12-3-7-26(8-4-12)19(28)16(5-9-27-17(22)2-6-24-27)25-31(29,30)13-10-14(20)18(23)15(21)11-13/h2,6,10-12,16,25H,3-5,7-9,23H2,1H3

>  <InChI Key>
HXAHSXQTFSWLMO-UHFFFAOYSA-N

