5-cyclohexa-2,4-dien-1-yl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Systemtic Name: 5-cyclohexa-2,4-dien-1-yl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 5-cyclohexa-2,4-dien-1-yl-1-methyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 5-(1-cyclohexa-2,4-dienyl)-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 5-cyclohexa-2,4-dien-1-yl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 5-cyclohexa-2,4-dien-1-yl-1-methyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C28H32N2O5S2 MolecularWeight: 540.69408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(CC(C2)(C3=O)C4CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(CC(C2)(C3=O)C4CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C28H32N2O5S2/c1-21-9-13-24(14-10-21)36(32,33)29-17-27(3)18-30(37(34,35)25-15-11-22(2)12-16-25)20-28(19-29,26(27)31)23-7-5-4-6-8-23/h4-7,9-16,23H,8,17-20H2,1-3H3