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M  END

>  <Chemical Name>
MLS-0421957.0001

>  <PubChem CID>
25161603

>  <Formula>
C25H34N4O4S

>  <Molecular Weight>
486.631000

>  <IUPAC Name>
3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4

>  <Isomeric SMILES>
CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4

>  <InChI Std. ID>
InChI=1S/C25H34N4O4S/c1-4-33-24-10-6-5-9-23(24)28-15-17-29(18-16-28)25(30)21-19-20(34(31,32)26(2)3)11-12-22(21)27-13-7-8-14-27/h5-6,9-12,19H,4,7-8,13-18H2,1-3H3

>  <InChI Key>
FFZVSWSBYQHFGC-UHFFFAOYSA-N

