
 BDBM175032

 91 97  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM175032

>  <PubChem CID>
133081613

>  <Formula>
C36H43N5O6S

>  <Molecular Weight>
673.829000

>  <IUPAC Name>
3-(5-ethoxy-2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-[6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxo-3a,7a-dihydroindole-5-carbonitrile

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCOC1=CC(=C(C=C1)OC)C2(C3C=C(C=CC3N(C2=O)S(=O)(=O)C4=CC=C(C=C4)OC)C#N)N5CC6(C5)CN(C6)C7CCN(CC7)C

>  <Isomeric SMILES>
CCOC1=CC(=C(C=C1)OC)C2(C3C=C(C=CC3N(C2=O)S(=O)(=O)C4=CC=C(C=C4)OC)C#N)N5CC6(C5)CN(C6)C7CCN(CC7)C

>  <InChI Std. ID>
InChI=1S/C36H43N5O6S/c1-5-47-28-9-13-33(46-4)31(19-28)36(40-23-35(24-40)21-39(22-35)26-14-16-38(2)17-15-26)30-18-25(20-37)6-12-32(30)41(34(36)42)48(43,44)29-10-7-27(45-3)8-11-29/h6-13,18-19,26,30,32H,5,14-17,21-24H2,1-4H3

>  <InChI Key>
BRDNLIFRPRLLRN-UHFFFAOYSA-N

