
 CHEMBL556205

 70 72  0  0  0  0  0  0  0  0999 V2000
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    4.6629    0.6112    0.0224 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL556205

>  <PubChem CID>
10256788

>  <Formula>
C29H33ClN2O4S

>  <Molecular Weight>
541.103000

>  <IUPAC Name>
3,4-dimethoxy-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)OC)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC(CC3=CC=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)OC)OC.Cl

>  <InChI Std. ID>
InChI=1S/C29H32N2O4S.ClH/c1-21(26-15-9-13-23-12-7-8-14-27(23)26)30-20-24(18-22-10-5-4-6-11-22)31-36(32,33)25-16-17-28(34-2)29(19-25)35-3;/h4-17,19,21,24,30-31H,18,20H2,1-3H3;1H

>  <InChI Key>
BDHABHYWMWCGPZ-UHFFFAOYSA-N

