3-(5-bromanyl-2-methoxy-phenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Openeye Name: 3-(5-bromo-2-methoxy-phenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane CAS Name: 3-(5-bromo-2-methoxyphenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane IUPAC Name: 3-(5-bromo-2-methoxyphenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Traditional Name: 3-(5-bromo-2-methoxy-phenyl)sulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Formula: C20H31BrN2O3S MolecularWeight: 459.44074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H31BrN2O3S/c1-5-6-9-22-11-15-13-23(14-16(12-22)20(15,2)3)27(24,25)19-10-17(21)7-8-18(19)26-4/h7-8,10,15-16H,5-6,9,11-14H2,1-4H3