
 SB-271046

 51 54  0  0  0  0  0  0  0  0999 V2000
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    4.4842   -3.9703    0.3155 N   0  0  0  0  0
    3.9286   -5.2812    0.1811 C   0  0  0  0  0
    4.7395   -6.3947    0.4102 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SB-271046

>  <PubChem CID>
5312149

>  <Formula>
C20H22ClN3O3S2

>  <Molecular Weight>
451.984000

>  <IUPAC Name>
5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4

>  <Isomeric SMILES>
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4

>  <InChI Std. ID>
InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3

>  <InChI Key>
LOCQRDBFWSXQQI-UHFFFAOYSA-N

