
 SCHEMBL1311428

 54 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1311428

>  <PubChem CID>
58509102

>  <Formula>
C20H23Cl2N5O3S

>  <Molecular Weight>
484.396000

>  <IUPAC Name>
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-oxo-1-piperidin-1-ylbutan-2-yl]benzenesulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
C1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C20H23Cl2N5O3S/c21-16-11-15(12-17(22)19(16)24)31(29,30)25-18(20(28)27-7-2-1-3-8-27)6-10-26-9-4-5-14(26)13-23/h4-5,9,11-12,18,25H,1-3,6-8,10,24H2

>  <InChI Key>
JIUOHGCUXWYFIO-UHFFFAOYSA-N

