
 MLS001079319

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M  END

>  <Chemical Name>
MLS001079319

>  <PubChem CID>
24979260

>  <Formula>
C25H29N3O4S

>  <Molecular Weight>
467.584000

>  <IUPAC Name>
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4

>  <Isomeric SMILES>
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4

>  <InChI Std. ID>
InChI=1S/C25H29N3O4S/c1-19-7-11-21(12-8-19)27-33(30,31)22-13-9-20(10-14-22)25(29)26-18-23(24-6-5-17-32-24)28-15-3-2-4-16-28/h5-14,17,23,27H,2-4,15-16,18H2,1H3,(H,26,29)

>  <InChI Key>
CHGMWIQKNZGDME-UHFFFAOYSA-N

