
 SCHEMBL1075991

 55 57  0  0  0  0  0  0  0  0999 V2000
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    5.9415   -3.5864   -3.2662 H   0  0  0  0  0
    4.1638   -2.1832   -2.4411 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1075991

>  <PubChem CID>
58509273

>  <Formula>
C21H26N4O3S

>  <Molecular Weight>
414.524000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C21H26N4O3S/c1-17-9-13-25(14-10-17)21(26)20(11-15-24-12-5-6-18(24)16-22)23-29(27,28)19-7-3-2-4-8-19/h2-8,12,17,20,23H,9-11,13-15H2,1H3

>  <InChI Key>
UWIFNZPQBKJFLK-UHFFFAOYSA-N

