
 SCHEMBL4802558

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL4802558

>  <PubChem CID>
11576203

>  <Formula>
C24H33N3O4S

>  <Molecular Weight>
459.605000

>  <IUPAC Name>
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-2,2-dimethyl-3,4-dihydrochromene-6-sulfonamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC4=C(C=C3)OC(CC4)(C)C

>  <Isomeric SMILES>
C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC4=C(C=C3)OC(CC4)(C)C

>  <InChI Std. ID>
InChI=1S/C24H33N3O4S/c1-16-14-27(15-17(2)25-16)19-6-8-23(30-5)21(13-19)26-32(28,29)20-7-9-22-18(12-20)10-11-24(3,4)31-22/h6-9,12-13,16-17,25-26H,10-11,14-15H2,1-5H3/t16-,17+

>  <InChI Key>
AXCLMWWQFJTKNU-CALCHBBNSA-N

