1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

Systemtic Name: 1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 1,5-ditosyl-1,5,9-triazacyclododecane Formula: C23H33N3O4S2 MolecularWeight: 479.65582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H33N3O4S2/c1-20-6-10-22(11-7-20)31(27,28)25-16-3-14-24-15-4-17-26(19-5-18-25)32(29,30)23-12-8-21(2)9-13-23/h6-13,24H,3-5,14-19H2,1-2H3