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

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


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