
 CHEMBL3342872

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3342872

>  <PubChem CID>
118716719

>  <Formula>
C23H31N3O5S2

>  <Molecular Weight>
493.637000

>  <IUPAC Name>
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-thiophen-2-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC4(O3)CCN(CC4)S(=O)(=O)C5=CC=CS5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC4(O3)CCN(CC4)S(=O)(=O)C5=CC=CS5

>  <InChI Std. ID>
InChI=1S/C23H31N3O5S2/c1-29-21-6-3-2-5-20(21)25-14-12-24(13-15-25)17-19-18-30-23(31-19)8-10-26(11-9-23)33(27,28)22-7-4-16-32-22/h2-7,16,19H,8-15,17-18H2,1H3

>  <InChI Key>
BHUCMEWUSAGOPR-UHFFFAOYSA-N

