
 CHEMBL2115416

 83 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2115416

>  <PubChem CID>
71452806

>  <Formula>
C34H38Cl2N2O6S

>  <Molecular Weight>
673.646000

>  <IUPAC Name>
[(2S)-2-(3,4-dichlorophenyl)-2-[2-[(2R)-2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCOC(C2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCO[C@@](C2)(CCN3CCC4(CC3)C5=CC=CC=C5C[S@]4=O)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m1/s1

>  <InChI Key>
RWSBBXFLRGQFQP-GMXZTLEESA-N

