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

Systemtic Name: 4-[2-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(3-isopropylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethoxy]benzonitrile CAS Name: 4-[2-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethoxy]benzonitrile IUPAC Name: 4-[2-(3-propan-2-ylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(3-isopropylsulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethoxy]benzonitrile Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CC2CCC(C1)N2CCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)S(=O)(=O)N1CC2CCC(C1)N2CCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H25N3O3S/c1-14(2)25(22,23)20-12-16-5-6-17(13-20)21(16)9-10-24-18-7-3-15(11-19)4-8-18/h3-4,7-8,14,16-17H,5-6,9-10,12-13H2,1-2H3