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

Systemtic Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Openeye Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane CAS Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane IUPAC Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Traditional Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane Formula: C21H34N2O2S MolecularWeight: 378.57186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O2S/c1-6-7-10-22-12-18-14-23(15-19(13-22)21(18,4)5)26(24,25)20-11-16(2)8-9-17(20)3/h8-9,11,18-19H,6-7,10,12-15H2,1-5H3