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

Systemtic Name: 4-[2-oxidanyl-3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-(3-isopropylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propoxy]benzonitrile CAS Name: 4-[2-hydroxy-3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propoxy]benzonitrile IUPAC Name: 4-[2-hydroxy-3-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propoxy]benzonitrile Traditional Name: 4-[2-hydroxy-3-(3-isopropylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propoxy]benzonitrile Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)S(=O)(=O)N1CC2CCC(C1)N2CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C19H27N3O4S/c1-14(2)27(24,25)21-10-16-5-6-17(11-21)22(16)12-18(23)13-26-19-7-3-15(9-20)4-8-19/h3-4,7-8,14,16-18,23H,5-6,10-13H2,1-2H3