1,4-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane; propane

Systemtic Name: 1,4-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane; propane Openeye Name: 1,4-bis(p-tolylsulfonyl)-1,4,7-triazonane; propane CAS Name: 1,4-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane; propane IUPAC Name: 1,4-bis-(4-methylphenyl)sulfonyl-1,4,7-triazonane; propane Traditional Name: 1,4-ditosyl-1,4,7-triazonane; n-propane Formula: C23H35N3O4S2 MolecularWeight: 481.6717

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC.CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N3O4S2.C3H8/c1-17-3-7-19(8-4-17)28(24,25)22-13-11-21-12-14-23(16-15-22)29(26,27)20-9-5-18(2)6-10-20;1-3-2/h3-10,21H,11-16H2,1-2H3;3H2,1-2H3