4-[3-[3-(3-ethylsulfonylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[3-(3-ethylsulfonylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[3-(3-ethylsulfonylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[3-(3-ethylsulfonylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[3-(3-ethylsulfonylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[3-(3-esylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-hydroxy-propoxy]benzonitrile Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCN1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCS(=O)(=O)CCCN1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C21H31N3O4S/c1-2-29(26,27)11-3-10-23-13-18-6-7-19(14-23)24(18)15-20(25)16-28-21-8-4-17(12-22)5-9-21/h4-5,8-9,18-20,25H,2-3,6-7,10-11,13-16H2,1H3