
 CHEMBL492301

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL492301

>  <PubChem CID>
44225654

>  <Formula>
C21H25ClN2O3S

>  <Molecular Weight>
420.952000

>  <IUPAC Name>
7-[4-(2-chlorophenoxy)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1OC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=C(CCNCC4)C=C3

>  <Isomeric SMILES>
C1CN(CCC1OC2=CC=CC=C2Cl)S(=O)(=O)C3=CC4=C(CCNCC4)C=C3

>  <InChI Std. ID>
InChI=1S/C21H25ClN2O3S/c22-20-3-1-2-4-21(20)27-18-9-13-24(14-10-18)28(25,26)19-6-5-16-7-11-23-12-8-17(16)15-19/h1-6,15,18,23H,7-14H2

>  <InChI Key>
ZVFFUTQAERXNNF-UHFFFAOYSA-N

