
 MLS001110184

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M  END

>  <Chemical Name>
MLS001110184

>  <PubChem CID>
17038160

>  <Formula>
C26H31N5O5S

>  <Molecular Weight>
525.624000

>  <IUPAC Name>
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)NCCN3CCOCC3)NC(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(C)S(=O)(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)NCCN3CCOCC3)\NC(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H31N5O5S/c1-29(2)37(34,35)31-19-21(22-10-6-7-11-24(22)31)18-23(28-25(32)20-8-4-3-5-9-20)26(33)27-12-13-30-14-16-36-17-15-30/h3-11,18-19H,12-17H2,1-2H3,(H,27,33)(H,28,32)/b23-18-

>  <InChI Key>
AAFGQGUAUKKREU-NKFKGCMQSA-N

