2-methyl-3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazocane

Systemtic Name: 2-methyl-3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazocane Openeye Name: 2-methyl-3,6-bis(p-tolylsulfonyl)-1,3,6-oxadiazocane CAS Name: 2-methyl-3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazocane IUPAC Name: 2-methyl-3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazocane Traditional Name: 2-methyl-3,6-ditosyl-1,3,6-oxadiazocane Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(CCN(CCO1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1N(CCN(CCO1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N2O5S2/c1-16-4-8-19(9-5-16)28(23,24)21-12-13-22(18(3)27-15-14-21)29(25,26)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3