
 CHEMBL218446

 99101  0  0  0  0  0  0  0  0999 V2000
   14.3905   -8.0851    4.8661 C   0  0  0  0  0
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   19.6318   13.5711    1.8693 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL218446

>  <PubChem CID>
16105541

>  <Formula>
C38H50N2O8S

>  <Molecular Weight>
694.884000

>  <IUPAC Name>
5-[[(Z)-[(4-hexadecoxy-3-methoxyphenyl)-phenylmethylidene]amino]sulfamoyl]benzene-1,3-dicarboxylic acid

>  <XlogP>
11.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=NNS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C3=CC=CC=C3)OC

>  <Isomeric SMILES>
CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)/C(=N\NS(=O)(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)/C3=CC=CC=C3)OC

>  <InChI Std. ID>
InChI=1S/C38H50N2O8S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-48-34-23-22-30(28-35(34)47-2)36(29-20-17-16-18-21-29)39-40-49(45,46)33-26-31(37(41)42)25-32(27-33)38(43)44/h16-18,20-23,25-28,40H,3-15,19,24H2,1-2H3,(H,41,42)(H,43,44)/b39-36-

>  <InChI Key>
AWIXKKSJEDGSMS-HYLXNHFUSA-N

