
 MLS000595131

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    4.7796   -8.9604    4.2154 O   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000595131

>  <PubChem CID>
135425023

>  <Formula>
C23H23N3O4S

>  <Molecular Weight>
437.514000

>  <IUPAC Name>
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NN=CC3=C(C=CC4=CC=CC=C43)O

>  <Isomeric SMILES>
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N/N=C\C3=C(C=CC4=CC=CC=C43)O

>  <InChI Std. ID>
InChI=1S/C23H23N3O4S/c27-22-13-10-17-6-2-3-7-20(17)21(22)16-24-25-23(28)18-8-11-19(12-9-18)31(29,30)26-14-4-1-5-15-26/h2-3,6-13,16,27H,1,4-5,14-15H2,(H,25,28)/b24-16-

>  <InChI Key>
GVSZOJURNPPDIH-JLPGSUDCSA-N

