
 SCHEMBL1073855

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M  END

>  <Chemical Name>
SCHEMBL1073855

>  <PubChem CID>
58509058

>  <Formula>
C21H22Cl2F3N5O3S

>  <Molecular Weight>
552.394000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CN(CCC1C(F)(F)F)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
C1CN(CCC1C(F)(F)F)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C21H22Cl2F3N5O3S/c22-16-10-15(11-17(23)19(16)28)35(33,34)29-18(5-9-30-6-1-2-14(30)12-27)20(32)31-7-3-13(4-8-31)21(24,25)26/h1-2,6,10-11,13,18,29H,3-5,7-9,28H2

>  <InChI Key>
TUCQLFWSXLIZHY-UHFFFAOYSA-N

