
 SCHEMBL1077541

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M  END

>  <Chemical Name>
SCHEMBL1077541

>  <PubChem CID>
58509360

>  <Formula>
C25H28N4O3S

>  <Molecular Weight>
464.584000

>  <IUPAC Name>
N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]naphthalene-1-sulfonamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C25H28N4O3S/c1-19-11-15-29(16-12-19)25(30)23(13-17-28-14-5-8-21(28)18-26)27-33(31,32)24-10-4-7-20-6-2-3-9-22(20)24/h2-10,14,19,23,27H,11-13,15-17H2,1H3

>  <InChI Key>
MPYAGMCVTTUHIY-UHFFFAOYSA-N

