4-[3-[(3-butylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(3-butylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(3-butylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[(3-butylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)-methylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[(3-butylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)-methylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[(3-butylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)-methyl-amino]-2-hydroxy-propoxy]benzonitrile Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CC2CCC(C1)C2N(C)CC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCCCS(=O)(=O)N1CC2CCC(C1)C2N(C)CC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C22H33N3O4S/c1-3-4-11-30(27,28)25-13-18-7-8-19(14-25)22(18)24(2)15-20(26)16-29-21-9-5-17(12-23)6-10-21/h5-6,9-10,18-20,22,26H,3-4,7-8,11,13-16H2,1-2H3