1,2,2-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,2,2-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 1,2,2-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,2,2-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,2,2-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1,2,2-tritosyl-1,4,7,10-tetrazacyclododecane Formula: C29H38N4O6S3 MolecularWeight: 634.83022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CNCCNCCNCCN2S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CNCCNCCNCCN2S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N4O6S3/c1-23-4-10-26(11-5-23)40(34,35)29(41(36,37)27-12-6-24(2)7-13-27)22-32-19-18-30-16-17-31-20-21-33(29)42(38,39)28-14-8-25(3)9-15-28/h4-15,30-32H,16-22H2,1-3H3