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

Systemtic Name: 3-(chloromethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 3-(chloromethyl)-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 3-(chloromethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 3-(chloromethyl)-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 3-(chloromethyl)-1,5-ditosyl-1,5,9-triazacyclododecane Formula: C24H34ClN3O4S2 MolecularWeight: 528.12746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CC(C2)CCl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CC(C2)CCl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H34ClN3O4S2/c1-20-5-9-23(10-6-20)33(29,30)27-15-3-13-26-14-4-16-28(19-22(17-25)18-27)34(31,32)24-11-7-21(2)8-12-24/h5-12,22,26H,3-4,13-19H2,1-2H3