
 CHEMBL91374

 71 75  0  0  0  0  0  0  0  0999 V2000
    2.6342    1.0317   -1.8066 C   0  0  0  0  0
    2.8452   -0.3205   -2.3811 N   0  0  0  0  0
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    2.4782    0.6009   -4.9439 C   0  0  0  0  0
    2.8634    1.8137   -5.5220 C   0  0  0  0  0
    1.9546    2.5097   -6.3183 C   0  0  0  0  0
    0.6759    1.9922   -6.5351 C   0  0  0  0  0
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    4.4659   -0.7590   -1.0664 H   0  0  0  0  0
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    1.5371   -3.2299   -1.2779 H   0  0  0  0  0
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    0.2736    3.6335    7.3756 H   0  0  0  0  0
    1.9738    3.2085    5.6241 H   0  0  0  0  0
    1.4789    1.7377    3.7119 H   0  0  0  0  0
    3.8559   -4.1538   -0.7781 H   0  0  0  0  0
    5.4833   -4.9022    3.1257 H   0  0  0  0  0
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    0.9180   -0.8809   -4.7257 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL91374

>  <PubChem CID>
479847

>  <Formula>
C29H32Cl2N2O4S2

>  <Molecular Weight>
607.605000

>  <IUPAC Name>
N-[2-(3,5-dichlorophenyl)-4-(1,1-dioxospiro[2H-1-benzothiophene-3,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(CC(CCN1CCC2(CC1)CS(=O)(=O)C3=CC=CC=C23)C4=CC(=CC(=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5

>  <Isomeric SMILES>
CN(CC(CCN1CCC2(CC1)CS(=O)(=O)C3=CC=CC=C23)C4=CC(=CC(=C4)Cl)Cl)S(=O)(=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C29H32Cl2N2O4S2/c1-32(39(36,37)26-7-3-2-4-8-26)20-22(23-17-24(30)19-25(31)18-23)11-14-33-15-12-29(13-16-33)21-38(34,35)28-10-6-5-9-27(28)29/h2-10,17-19,22H,11-16,20-21H2,1H3

>  <InChI Key>
AMUYEBYBXUGDJP-UHFFFAOYSA-N

