1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 1,7-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1,7-ditosyl-1,4,7,10-tetrazacyclododecane Formula: C22H32N4O4S2 MolecularWeight: 480.64388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H32N4O4S2/c1-19-3-7-21(8-4-19)31(27,28)25-15-11-23-13-17-26(18-14-24-12-16-25)32(29,30)22-9-5-20(2)6-10-22/h3-10,23-24H,11-18H2,1-2H3