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

Systemtic Name: 2-methyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 2-methyl-1,2,3,3-tetrakis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 2-methyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 2-methyl-1,2,3,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 2-methyl-1,2,3,3-tetratosyl-1,4,7,10-tetrazacyclododecane Formula: C37H46N4O8S4 MolecularWeight: 803.04314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(C(NCCNCCNCCN2S(=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)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(C(NCCNCCNCCN2S(=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)C

InChI

InChI=1S/C37H46N4O8S4/c1-28-6-14-32(15-7-28)50(42,43)36(5)37(51(44,45)33-16-8-29(2)9-17-33,52(46,47)34-18-10-30(3)11-19-34)40-25-24-38-22-23-39-26-27-41(36)53(48,49)35-20-12-31(4)13-21-35/h6-21,38-40H,22-27H2,1-5H3