
 SCHEMBL1035118

 57 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1035118

>  <PubChem CID>
58509203

>  <Formula>
C21H25Cl2N5O3S

>  <Molecular Weight>
498.423000

>  <IUPAC Name>
2-amino-4,6-dichloro-N-[4-(2-cyanopyrrol-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=C2C#N)NS(=O)(=O)C3=C(C=C(C=C3N)Cl)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=C(C=C(C=C3N)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-16(27)13-24)26-32(30,31)20-17(23)11-15(22)12-18(20)25/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3

>  <InChI Key>
ACGUCMXPWIANLN-UHFFFAOYSA-N

