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M  END

>  <Chemical Name>
MLS-0433928.0001

>  <PubChem CID>
2518725

>  <Formula>
C24H31N3O3S

>  <Molecular Weight>
441.590000

>  <IUPAC Name>
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C

>  <InChI Std. ID>
InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3

>  <InChI Key>
DOFHYXBPOKRVPS-UHFFFAOYSA-N

