4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-4,8-diazabicyclo[4.3.1]decane

Systemtic Name: 4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-4,8-diazabicyclo[4.3.1]decane Openeye Name: 6-nitro-4,8-bis(p-tolylsulfonyl)-4,8-diazabicyclo[4.3.1]decane CAS Name: 4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-4,8-diazabicyclo[4.3.1]decane IUPAC Name: 4,8-bis-(4-methylphenyl)sulfonyl-6-nitro-4,8-diazabicyclo[4.3.1]decane Traditional Name: 6-nitro-4,8-ditosyl-4,8-diazabicyclo[4.3.1]decane Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3CC(C2)(CN(C3)S(=O)(=O)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O6S2/c1-17-3-7-20(8-4-17)32(28,29)23-12-11-19-13-22(15-23,25(26)27)16-24(14-19)33(30,31)21-9-5-18(2)6-10-21/h3-10,19H,11-16H2,1-2H3