
 MLS000759653

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M  END

>  <Chemical Name>
MLS000759653

>  <PubChem CID>
16239891

>  <Formula>
C21H26N4O8S

>  <Molecular Weight>
494.519000

>  <IUPAC Name>
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(pyridin-3-ylmethylamino)acetamide;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNCC3=CN=CC=C3.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNCC3=CN=CC=C3.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C19H24N4O4S.C2H2O4/c1-15-4-5-17(28(25,26)23-7-9-27-10-8-23)11-18(15)22-19(24)14-21-13-16-3-2-6-20-12-16;3-1(4)2(5)6/h2-6,11-12,21H,7-10,13-14H2,1H3,(H,22,24);(H,3,4)(H,5,6)

>  <InChI Key>
GYOIRLYWPIRHDU-UHFFFAOYSA-N

