3,7-dimethyl-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane-3,7-diol

Systemtic Name: 3,7-dimethyl-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane-3,7-diol Openeye Name: 3,7-dimethyl-1,5-bis(p-tolylsulfonyl)-1,5-diazocane-3,7-diol CAS Name: 3,7-dimethyl-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane-3,7-diol IUPAC Name: 3,7-dimethyl-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane-3,7-diol Traditional Name: 3,7-dimethyl-1,5-ditosyl-1,5-diazocane-3,7-diol Formula: C22H30N2O6S2 MolecularWeight: 482.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CC(C2)(C)O)S(=O)(=O)C3=CC=C(C=C3)C)(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CC(C2)(C)O)S(=O)(=O)C3=CC=C(C=C3)C)(C)O

InChI

InChI=1S/C22H30N2O6S2/c1-17-5-9-19(10-6-17)31(27,28)23-13-21(3,25)15-24(16-22(4,26)14-23)32(29,30)20-11-7-18(2)8-12-20/h5-12,25-26H,13-16H2,1-4H3