
 SCHEMBL4805648

 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL4805648

>  <PubChem CID>
69198407

>  <Formula>
C19H23BrFN3O3S

>  <Molecular Weight>
472.373000

>  <IUPAC Name>
4-bromo-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-2-methoxybenzenesulfonamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CC(N1)C)C2=CC(=C(C=C2)F)NS(=O)(=O)C3=C(C=C(C=C3)Br)OC

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)F)NS(=O)(=O)C3=C(C=C(C=C3)Br)OC

>  <InChI Std. ID>
InChI=1S/C19H23BrFN3O3S/c1-12-10-24(11-13(2)22-12)15-5-6-16(21)17(9-15)23-28(25,26)19-7-4-14(20)8-18(19)27-3/h4-9,12-13,22-23H,10-11H2,1-3H3/t12-,13+

>  <InChI Key>
AWMCTNJQOUASMF-BETUJISGSA-N

