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

Systemtic Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)propylamino]benzenecarbonitrile Openeye Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)propylamino]benzonitrile CAS Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)propylamino]benzonitrile IUPAC Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)propylamino]benzonitrile Traditional Name: 4-[3-(3-butylsulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl)propylamino]benzonitrile Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2CN(CC(C1)O2)CCCNC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCS(=O)(=O)N1CC2CN(CC(C1)O2)CCCNC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H30N4O3S/c1-2-3-11-28(25,26)24-15-19-13-23(14-20(16-24)27-19)10-4-9-22-18-7-5-17(12-21)6-8-18/h5-8,19-20,22H,2-4,9-11,13-16H2,1H3