3,7-bis-(4-methylphenyl)sulfonyl-1,3,7-oxadiazocane

Systemtic Name: 3,7-bis-(4-methylphenyl)sulfonyl-1,3,7-oxadiazocane Openeye Name: 3,7-bis(p-tolylsulfonyl)-1,3,7-oxadiazocane CAS Name: 3,7-bis-(4-methylphenyl)sulfonyl-1,3,7-oxadiazocane IUPAC Name: 3,7-bis-(4-methylphenyl)sulfonyl-1,3,7-oxadiazocane Traditional Name: 3,7-ditosyl-1,3,7-oxadiazocane Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(COC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(COC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H24N2O5S2/c1-16-4-8-18(9-5-16)27(22,23)20-12-3-13-21(15-26-14-20)28(24,25)19-10-6-17(2)7-11-19/h4-11H,3,12-15H2,1-2H3