
 SCHEMBL4801347

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M  END

>  <Chemical Name>
SCHEMBL4801347

>  <PubChem CID>
11641108

>  <Formula>
C23H27N3O3S2

>  <Molecular Weight>
457.607000

>  <IUPAC Name>
N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-phenylthiophene-2-sulfonamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C23H27N3O3S2/c1-16-14-26(15-17(2)24-16)20-13-19(9-10-21(20)29-3)25-31(27,28)23-12-11-22(30-23)18-7-5-4-6-8-18/h4-13,16-17,24-25H,14-15H2,1-3H3/t16-,17+

>  <InChI Key>
ADEUJLRFCPZMMU-CALCHBBNSA-N

