
 MLS000374486

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M  END

>  <Chemical Name>
MLS000374486

>  <PubChem CID>
5676317

>  <Formula>
C20H14N2O3S2

>  <Molecular Weight>
394.463000

>  <IUPAC Name>
(NZ)-N-(3-anilino-4-oxonaphthalen-1-ylidene)thiophene-2-sulfonamide

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)NC2=CC(=NS(=O)(=O)C3=CC=CS3)C4=CC=CC=C4C2=O

>  <Isomeric SMILES>
C1=CC=C(C=C1)NC2=C/C(=N/S(=O)(=O)C3=CC=CS3)/C4=CC=CC=C4C2=O

>  <InChI Std. ID>
InChI=1S/C20H14N2O3S2/c23-20-16-10-5-4-9-15(16)17(22-27(24,25)19-11-6-12-26-19)13-18(20)21-14-7-2-1-3-8-14/h1-13,21H/b22-17-

>  <InChI Key>
HBKSVQFOBQYYEZ-XLNRJJMWSA-N

