4,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane-2,9-dione

Systemtic Name: 4,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane-2,9-dione Openeye Name: 4,7-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane-2,9-dione CAS Name: 4,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane-2,9-dione IUPAC Name: 4,7-bis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane-2,9-dione Traditional Name: 4,7-ditosyl-1,4,7,10-tetrazacyclododecane-2,9-quinone Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(=O)NCCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(=O)NCCNC(=O)C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28N4O6S2/c1-17-3-7-19(8-4-17)33(29,30)25-13-14-26(16-22(28)24-12-11-23-21(27)15-25)34(31,32)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,28)