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

Systemtic Name: 4-[2-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethoxy]benzonitrile CAS Name: 4-[2-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethoxy]benzonitrile IUPAC Name: 4-[2-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)ethoxy]benzonitrile Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2CN(CC(C1)O2)CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCS(=O)(=O)N1CC2CN(CC(C1)O2)CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H27N3O4S/c1-2-3-10-27(23,24)22-14-18-12-21(13-19(15-22)26-18)8-9-25-17-6-4-16(11-20)5-7-17/h4-7,18-19H,2-3,8-10,12-15H2,1H3