7-butyl-3-(4-imidazol-1-ylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Systemtic Name: 7-butyl-3-(4-imidazol-1-ylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Openeye Name: 7-butyl-3-(4-imidazol-1-ylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane CAS Name: 7-butyl-3-[4-(1-imidazolyl)phenyl]sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane IUPAC Name: 7-butyl-3-(4-imidazol-1-ylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Traditional Name: 7-butyl-3-(4-imidazol-1-ylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H32N4O2S/c1-4-5-11-24-13-18-15-26(16-19(14-24)22(18,2)3)29(27,28)21-8-6-20(7-9-21)25-12-10-23-17-25/h6-10,12,17-19H,4-5,11,13-16H2,1-3H3