
 CHEMBL1078344

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M  END

>  <Chemical Name>
CHEMBL1078344

>  <PubChem CID>
46882712

>  <Formula>
C23H22ClNO2S

>  <Molecular Weight>
411.944000

>  <IUPAC Name>
7-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC2=C1C=CC(=C2)CS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CNCCC2=C1C=CC(=C2)CS(=O)(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C23H22ClNO2S/c24-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28(26,27)16-17-1-2-20-11-13-25-14-12-21(20)15-17/h1-10,15,25H,11-14,16H2

>  <InChI Key>
AXDSJPSPYMTGDH-UHFFFAOYSA-N

