
 CHEMBL1354533

 54 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1354533

>  <PubChem CID>
16031807

>  <Formula>
C22H26N2O3S

>  <Molecular Weight>
398.521000

>  <IUPAC Name>
1-(cyclobutanecarbonyl)-N-(2,3-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4CCC4)C

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)N(CCC3)C(=O)C4CCC4)C

>  <InChI Std. ID>
InChI=1S/C22H26N2O3S/c1-15-6-3-10-20(16(15)2)23-28(26,27)19-11-12-21-18(14-19)9-5-13-24(21)22(25)17-7-4-8-17/h3,6,10-12,14,17,23H,4-5,7-9,13H2,1-2H3

>  <InChI Key>
AAALVBIWOWZUBR-UHFFFAOYSA-N

