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

Systemtic Name: N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-[3-[(2S)-3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]-1-phenyl-methanesulfonamide Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)CN1CCNS(=O)(=O)CC3=CC=CC=C3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1C2CN(CC(O2)CN1CCNS(=O)(=O)CC3=CC=CC=C3)C[C@@H](COC4=CC=C(C=C4)C#N)O

InChI

InChI=1S/C25H32N4O5S/c26-12-20-6-8-23(9-7-20)33-18-22(30)13-29-16-24-14-28(15-25(17-29)34-24)11-10-27-35(31,32)19-21-4-2-1-3-5-21/h1-9,22,24-25,27,30H,10-11,13-19H2/t22-,24?,25?/m0/s1