
 MLS001030387

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M  END

>  <Chemical Name>
MLS001030387

>  <PubChem CID>
20970002

>  <Formula>
C21H23N3O5S

>  <Molecular Weight>
429.491000

>  <IUPAC Name>
N-cyclohexyl-5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxybenzenesulfonamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)NC4CCCCC4

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)N=CC=C3)S(=O)(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C21H23N3O5S/c1-29-17-10-9-14(12-18(17)30(27,28)23-15-6-3-2-4-7-15)13-24-20(25)16-8-5-11-22-19(16)21(24)26/h5,8-12,15,23H,2-4,6-7,13H2,1H3

>  <InChI Key>
BMDFDMUDFBRYBQ-UHFFFAOYSA-N

