N-[2-[3-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

Systemtic Name: N-[2-[3-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide Openeye Name: N-[2-[3-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide CAS Name: N-[2-[3-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide IUPAC Name: N-[2-[3-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide Traditional Name: N-[2-[3-[2-(4-cyanophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide Formula: C25H29F3N4O4S MolecularWeight: 538.58237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)CN1CCNS(=O)(=O)CC3=CC=C(C=C3)C(F)(F)F)CCOC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C2CN(CC(O2)CN1CCNS(=O)(=O)CC3=CC=C(C=C3)C(F)(F)F)CCOC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H29F3N4O4S/c26-25(27,28)21-5-1-20(2-6-21)18-37(33,34)30-9-10-31-14-23-16-32(17-24(15-31)36-23)11-12-35-22-7-3-19(13-29)4-8-22/h1-8,23-24,30H,9-12,14-18H2