1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 1-methylsulfonyl-4,7,10-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-methylsulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1-mesyl-4,7,10-tritosyl-1,4,7,10-tetrazacyclododecane Formula: C30H40N4O8S4 MolecularWeight: 712.9206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C

InChI

InChI=1S/C30H40N4O8S4/c1-25-5-11-28(12-6-25)44(37,38)32-19-17-31(43(4,35)36)18-20-33(45(39,40)29-13-7-26(2)8-14-29)22-24-34(23-21-32)46(41,42)30-15-9-27(3)10-16-30/h5-16H,17-24H2,1-4H3