2-hexyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 2-hexyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 2-hexyl-1,2,3,3-tetrakis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 2-hexyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 2-hexyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 2-hexyl-1,2,3,3-tetratosyl-1,4,7,10-tetrazacyclododecane Formula: C42H56N4O8S4 MolecularWeight: 873.17604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(NCCNCCNCCN1S(=O)(=O)C2=CC=C(C=C2)C)(S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCCCC1(C(NCCNCCNCCN1S(=O)(=O)C2=CC=C(C=C2)C)(S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C42H56N4O8S4/c1-6-7-8-9-26-41(55(47,48)37-18-10-33(2)11-19-37)42(56(49,50)38-20-12-34(3)13-21-38,57(51,52)39-22-14-35(4)15-23-39)45-30-29-43-27-28-44-31-32-46(41)58(53,54)40-24-16-36(5)17-25-40/h10-25,43-45H,6-9,26-32H2,1-5H3