
 MLS001096203

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M  END

>  <Chemical Name>
MLS001096203

>  <PubChem CID>
20945667

>  <Formula>
C22H31N3O5S

>  <Molecular Weight>
449.566000

>  <IUPAC Name>
4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)N3CCCCCC3

>  <Isomeric SMILES>
CC1=C(C(=C(N1C)C)S(=O)(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)N3CCCCCC3

>  <InChI Std. ID>
InChI=1S/C22H31N3O5S/c1-15-20(22(26)25-12-8-6-7-9-13-25)21(16(2)24(15)3)31(27,28)23-18-14-17(29-4)10-11-19(18)30-5/h10-11,14,23H,6-9,12-13H2,1-5H3

>  <InChI Key>
CSJDSJQKLZFJQP-UHFFFAOYSA-N

