
 CHEMBL282971

 58 62  0  0  0  0  0  0  0  0999 V2000
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    3.2474   -9.2013   -2.6814 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL282971

>  <PubChem CID>
9935387

>  <Formula>
C23H26ClN3O3S2

>  <Molecular Weight>
492.049000

>  <IUPAC Name>
N-[3-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCN5CCCC5C4

>  <Isomeric SMILES>
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCN5CCC[C@@H]5C4

>  <InChI Std. ID>
InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1

>  <InChI Key>
DVALOPXWVWHIHY-GOSISDBHSA-N

