
 SCHEMBL1037334

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M  END

>  <Chemical Name>
SCHEMBL1037334

>  <PubChem CID>
58509026

>  <Formula>
C20H24Cl2N6O3S

>  <Molecular Weight>
499.411000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CN=C2C#N)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CN=C2C#N)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C20H24Cl2N6O3S/c1-13-2-6-28(7-3-13)20(29)17(4-8-27-9-5-25-18(27)12-23)26-32(30,31)14-10-15(21)19(24)16(22)11-14/h5,9-11,13,17,26H,2-4,6-8,24H2,1H3

>  <InChI Key>
OEQVZEWITHEYQJ-UHFFFAOYSA-N

