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

Systemtic Name: 4-[3-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propylsulfonyl]benzenecarbonitrile Openeye Name: 4-[3-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propylsulfonyl]benzonitrile CAS Name: 4-[3-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propylsulfonyl]benzonitrile IUPAC Name: 4-[3-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propylsulfonyl]benzonitrile Traditional Name: 4-[3-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)propylsulfonyl]benzonitrile Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)CN1)CCCS(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1C2CN(CC(O2)CN1)CCCS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H21N3O3S/c17-8-13-2-4-16(5-3-13)23(20,21)7-1-6-19-11-14-9-18-10-15(12-19)22-14/h2-5,14-15,18H,1,6-7,9-12H2