
 CHEMBL1935426

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1935426

>  <PubChem CID>
56835087

>  <Formula>
C23H33NO4S

>  <Molecular Weight>
419.580000

>  <IUPAC Name>
4-[(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxymethyl]thiane 1,1-dioxide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C1)N2CCC3(CCC4=C(O3)C=CC(=C4)OCC5CCS(=O)(=O)CC5)CC2

>  <Isomeric SMILES>
C1CC(C1)N2CCC3(CCC4=C(O3)C=CC(=C4)OCC5CCS(=O)(=O)CC5)CC2

>  <InChI Std. ID>
InChI=1S/C23H33NO4S/c25-29(26)14-7-18(8-15-29)17-27-21-4-5-22-19(16-21)6-9-23(28-22)10-12-24(13-11-23)20-2-1-3-20/h4-5,16,18,20H,1-3,6-15,17H2

>  <InChI Key>
BITWXVYTBYRISR-UHFFFAOYSA-N

