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

Systemtic Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-phenyl-1,4,7,10-tetrazacyclododecane Openeye Name: 1-phenyl-4,7,10-tris(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-phenyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-phenyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1-phenyl-4,7,10-tritosyl-1,4,7,10-tetrazacyclododecane Formula: C35H42N4O6S3 MolecularWeight: 710.92618

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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)C5=CC=CC=C5

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)C5=CC=CC=C5

InChI

InChI=1S/C35H42N4O6S3/c1-29-9-15-33(16-10-29)46(40,41)37-23-21-36(32-7-5-4-6-8-32)22-24-38(47(42,43)34-17-11-30(2)12-18-34)26-28-39(27-25-37)48(44,45)35-19-13-31(3)14-20-35/h4-20H,21-28H2,1-3H3