1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane

Systemtic Name: 1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane Openeye Name: 1,5-bis(p-tolylsulfonyl)-1,5-diazocane CAS Name: 1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane IUPAC Name: 1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane Traditional Name: 1,5-ditosyl-1,5-diazocane Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N2O4S2/c1-17-5-9-19(10-6-17)27(23,24)21-13-3-15-22(16-4-14-21)28(25,26)20-11-7-18(2)8-12-20/h5-12H,3-4,13-16H2,1-2H3