
 MLS000684946

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M  END

>  <Chemical Name>
MLS000684946

>  <PubChem CID>
16194629

>  <Formula>
C23H31ClN4O3S2

>  <Molecular Weight>
511.096000

>  <IUPAC Name>
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C.Cl

>  <Isomeric SMILES>
CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C)C.Cl

>  <InChI Std. ID>
InChI=1S/C23H30N4O3S2.ClH/c1-16-8-13-20-21(17(16)2)24-23(31-20)27(15-7-14-25(3)4)22(28)18-9-11-19(12-10-18)32(29,30)26(5)6;/h8-13H,7,14-15H2,1-6H3;1H

>  <InChI Key>
AAHIIGUMEPHLHI-UHFFFAOYSA-N

