2,6-dimethyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 2,6-dimethyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 2,6-dimethyl-1,2,3,3-tetrakis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 2,6-dimethyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 2,6-dimethyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 2,6-dimethyl-1,2,3,3-tetratosyl-1,4,7,10-tetrazacyclododecane Formula: C38H48N4O8S4 MolecularWeight: 817.06972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(C(N(CCNCCN1)S(=O)(=O)C2=CC=C(C=C2)C)(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

CC1CNC(C(N(CCNCCN1)S(=O)(=O)C2=CC=C(C=C2)C)(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/C38H48N4O8S4/c1-28-7-15-33(16-8-28)51(43,44)37(6)38(52(45,46)34-17-9-29(2)10-18-34,53(47,48)35-19-11-30(3)12-20-35)41-27-32(5)40-24-23-39-25-26-42(37)54(49,50)36-21-13-31(4)14-22-36/h7-22,32,39-41H,23-27H2,1-6H3