1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-5-ol

Systemtic Name: 1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-5-ol Openeye Name: 1-methyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-5-ol CAS Name: 1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-5-ol IUPAC Name: 1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-5-ol Traditional Name: 1-methyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-5-ol Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)O)C

InChI

InChI=1S/C22H28N2O5S2/c1-17-4-8-19(9-5-17)30(26,27)23-13-21(3)12-22(25,15-23)16-24(14-21)31(28,29)20-10-6-18(2)7-11-20/h4-11,25H,12-16H2,1-3H3