
 CHEMBL2087421

 74 76  0  0  0  0  0  0  0  0999 V2000
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    0.3203   -4.0245    3.9727 C   0  0  0  0  0
    0.4782   -2.6849    4.3764 C   0  0  0  0  0
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    1.0345   -6.2452    2.4149 S   0  0  0  0  0
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    2.0869    0.4051    3.4940 C   0  0  0  0  0
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   -5.2655   -4.9590   -2.2378 H   0  0  0  0  0
   -2.6636   -7.3276   -3.4837 H   0  0  0  0  0
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   -1.4154   -8.9116   -4.7204 H   0  0  0  0  0
   -2.3748  -10.3269   -6.5114 H   0  0  0  0  0
   -3.9234   -9.5370   -6.3610 H   0  0  0  0  0
   -2.6229   -6.2842   -7.6370 H   0  0  0  0  0
   -4.0713   -7.0507   -7.0397 H   0  0  0  0  0
   -1.5402   -6.4816   -5.4043 H   0  0  0  0  0
   -3.0206   -5.5876   -5.3148 H   0  0  0  0  0
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    3.6776   -5.0797    1.6665 H   0  0  0  0  0
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    1.6160    0.4414    2.5058 H   0  0  0  0  0
    3.1664    0.2454    3.4124 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2087421

>  <PubChem CID>
11340940

>  <Formula>
C24H40N4O5S

>  <Molecular Weight>
496.667000

>  <IUPAC Name>
4-methoxy-N,2,6-trimethyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethoxy]ethyl]benzenesulfonamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N2CCN(CC2)C3CCN(CC3)C)C)OC

>  <Isomeric SMILES>
CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N2CCN(CC2)C3CCN(CC3)C)C)OC

>  <InChI Std. ID>
InChI=1S/C24H40N4O5S/c1-19-16-22(32-5)17-20(2)24(19)34(30,31)26(4)14-15-33-18-23(29)28-12-10-27(11-13-28)21-6-8-25(3)9-7-21/h16-17,21H,6-15,18H2,1-5H3

>  <InChI Key>
TYDKAHFZLFMNQX-UHFFFAOYSA-N

