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4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name:4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxidanyl-propoxy]benzenecarbonitrile
Openeye Name:4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxy-propoxy]benzonitrile
CAS Name:4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxypropoxy]benzonitrile
IUPAC Name:4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxypropoxy]benzonitrile
Traditional Name:4-[3-(3-butylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-hydroxy-propoxy]benzonitrile
Formula: C20H29N3O4S
MolecularWeight: 407.52696
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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O


Isomeric SMILES

CCCCS(=O)(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O


InChI

InChI=1S/C20H29N3O4S/c1-2-3-10-28(25,26)22-12-17-6-7-18(13-22)23(17)14-19(24)15-27-20-8-4-16(11-21)5-9-20/h4-5,8-9,17-19,24H,2-3,6-7,10,12-15H2,1H3


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