4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)-2-hydroxy-propoxy]benzonitrile Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2CN(CC(C1)O2)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCCCS(=O)(=O)N1CC2CN(CC(C1)O2)CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H29N3O5S/c1-2-3-8-29(25,26)23-13-19-11-22(12-20(14-23)28-19)10-17(24)15-27-18-6-4-16(9-21)5-7-18/h4-7,17,19-20,24H,2-3,8,10-15H2,1H3