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

Systemtic Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-(triphenylmethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7-tris(p-tolylsulfonyl)-10-trityl-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-(triphenylmethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7-tris-(4-methylphenyl)sulfonyl-10-trityl-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7-tritosyl-10-trityl-1,4,7,10-tetrazacyclododecane Formula: C48H52N4O6S3 MolecularWeight: 877.14468

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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)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

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)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C48H52N4O6S3/c1-39-19-25-45(26-20-39)59(53,54)50-33-31-49(48(42-13-7-4-8-14-42,43-15-9-5-10-16-43)44-17-11-6-12-18-44)32-34-51(60(55,56)46-27-21-40(2)22-28-46)36-38-52(37-35-50)61(57,58)47-29-23-41(3)24-30-47/h4-30H,31-38H2,1-3H3