
 SCHEMBL4802295

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL4802295

>  <PubChem CID>
69197133

>  <Formula>
C22H27N3O3S3

>  <Molecular Weight>
477.656000

>  <IUPAC Name>
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(5-methylthiophen-2-yl)thiophene-2-sulfonamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(S3)C4=CC=C(S4)C

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(S3)C4=CC=C(S4)C

>  <InChI Std. ID>
InChI=1S/C22H27N3O3S3/c1-14-12-25(13-15(2)23-14)17-6-7-19(28-4)18(11-17)24-31(26,27)22-10-9-21(30-22)20-8-5-16(3)29-20/h5-11,14-15,23-24H,12-13H2,1-4H3/t14-,15+

>  <InChI Key>
AXIMEHSTRHVITG-GASCZTMLSA-N

