
 CHEMBL2159476

 43 45  0  0  0  0  0  0  0  0999 V2000
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   -1.2574   -0.5682    2.7952 C   0  0  0  0  0
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    2.5432   -0.3515   -0.4453 S   0  0  0  0  0
    2.6579   -1.1829   -1.6242 O   0  0  0  0  0
    2.2572    1.0578   -0.5510 O   0  0  0  0  0
    4.1199   -0.4203    0.3573 C   0  0  0  0  0
    4.9872    0.5788    0.7663 C   0  0  0  0  0
    6.1912    0.0553    1.3218 C   0  0  0  0  0
    6.1740   -1.3152    1.3188 C   0  0  0  0  0
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    7.4260   -2.3521    1.8710 Cl  0  0  0  0  0
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    7.0178    0.6533    1.6841 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2159476

>  <PubChem CID>
71449642

>  <Formula>
C16H19ClN2O3S2

>  <Molecular Weight>
386.909000

>  <IUPAC Name>
5-chloro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]thiophene-2-sulfonamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CC1NS(=O)(=O)C2=CC=C(S2)Cl)CCOC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CC1NS(=O)(=O)C2=CC=C(S2)Cl)CCOC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C16H19ClN2O3S2/c17-15-6-7-16(23-15)24(20,21)18-13-8-9-19(12-13)10-11-22-14-4-2-1-3-5-14/h1-7,13,18H,8-12H2

>  <InChI Key>
ALMBNZHSWURVRM-UHFFFAOYSA-N

