
 MLS000098536

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M  END

>  <Chemical Name>
MLS000098536

>  <PubChem CID>
2998477

>  <Formula>
C22H23N3O4S

>  <Molecular Weight>
425.503000

>  <IUPAC Name>
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-N-ethyl-N-phenylpyridine-3-sulfonamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NCC3COC4=CC=CC=C4O3

>  <Isomeric SMILES>
CCN(C1=CC=CC=C1)S(=O)(=O)C2=CN=C(C=C2)NCC3COC4=CC=CC=C4O3

>  <InChI Std. ID>
InChI=1S/C22H23N3O4S/c1-2-25(17-8-4-3-5-9-17)30(26,27)19-12-13-22(24-15-19)23-14-18-16-28-20-10-6-7-11-21(20)29-18/h3-13,15,18H,2,14,16H2,1H3,(H,23,24)

>  <InChI Key>
BAEWUJRANKALKZ-UHFFFAOYSA-N

