
 CHEMBL3964878

 58 60  0  0  0  0  0  0  0  0999 V2000
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   -0.5290   -1.9582   -1.3173 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3964878

>  <PubChem CID>
134150557

>  <Formula>
C22H27Cl2N3O3S

>  <Molecular Weight>
484.436000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCC2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)[C@H](CCC2=CC=CC=C2)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C22H27Cl2N3O3S/c1-15-9-11-27(12-10-15)22(28)20(8-7-16-5-3-2-4-6-16)26-31(29,30)17-13-18(23)21(25)19(24)14-17/h2-6,13-15,20,26H,7-12,25H2,1H3/t20-/m0/s1

>  <InChI Key>
LRIXCDZHMGDDCY-FQEVSTJZSA-N

