
 CHEMBL90272

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL90272

>  <PubChem CID>
478493

>  <Formula>
C25H33Cl2N3O3S2

>  <Molecular Weight>
558.577000

>  <IUPAC Name>
(2S)-2-(3,4-dichlorophenyl)-N-(dimethylsulfamoyl)-N-methyl-4-(1-oxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butan-1-amine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)S(=O)(=O)N(C)CC(CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CN(C)S(=O)(=O)N(C)C[C@@H](CCN1CCC2(CC1)CS(=O)C3=CC=CC=C23)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C25H33Cl2N3O3S2/c1-28(2)35(32,33)29(3)17-20(19-8-9-22(26)23(27)16-19)10-13-30-14-11-25(12-15-30)18-34(31)24-7-5-4-6-21(24)25/h4-9,16,20H,10-15,17-18H2,1-3H3/t20-,34?/m1/s1

>  <InChI Key>
AXMFPMPIDBXVKP-DKVUXROGSA-N

