
 SCHEMBL1313743

 56 58  0  0  0  0  0  0  0  0999 V2000
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    4.2724    2.4167   -5.2392 C   0  0  0  0  0
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    2.6662    0.6892   -6.0806 C   0  0  0  0  0
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    8.8304    4.0598   -0.7961 H   0  0  0  0  0
    6.5354    3.4130   -1.0041 H   0  0  0  0  0
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    7.4132    4.4292   -4.5794 H   0  0  0  0  0
    9.9780    3.6959   -3.0738 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1313743

>  <PubChem CID>
58508981

>  <Formula>
C20H26Cl2N4O3S

>  <Molecular Weight>
473.413000

>  <IUPAC Name>
4-amino-3,5-dichloro-N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-pyrrol-1-ylbutan-2-yl]benzenesulfonamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <Isomeric SMILES>
CC1CCN(CC1)C(=O)C(CCN2C=CC=C2)NS(=O)(=O)C3=CC(=C(C(=C3)Cl)N)Cl

>  <InChI Std. ID>
InChI=1S/C20H26Cl2N4O3S/c1-14-4-10-26(11-5-14)20(27)18(6-9-25-7-2-3-8-25)24-30(28,29)15-12-16(21)19(23)17(22)13-15/h2-3,7-8,12-14,18,24H,4-6,9-11,23H2,1H3

>  <InChI Key>
RVJBPCUWQVZYTR-UHFFFAOYSA-N

