1,11,21,31-tetrakis-(4-methylphenyl)sulfonyl-1,11,21,31-tetrazacyclotetracontane

Systemtic Name: 1,11,21,31-tetrakis-(4-methylphenyl)sulfonyl-1,11,21,31-tetrazacyclotetracontane Openeye Name: 1,11,21,31-tetrakis(p-tolylsulfonyl)-1,11,21,31-tetrazacyclotetracontane CAS Name: 1,11,21,31-tetrakis-(4-methylphenyl)sulfonyl-1,11,21,31-tetrazacyclotetracontane IUPAC Name: 1,11,21,31-tetrakis-(4-methylphenyl)sulfonyl-1,11,21,31-tetrazacyclotetracontane Traditional Name: 1,11,21,31-tetratosyl-1,11,21,31-tetrazacyclotetracontane Formula: C64H100N4O8S4 MolecularWeight: 1181.7608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCN(CCCCCCCCCN(CCCCCCCCCN(CCCCCCCCC2)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

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCCCCN(CCCCCCCCCN(CCCCCCCCCN(CCCCCCCCC2)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/C64H100N4O8S4/c1-57-33-41-61(42-34-57)77(69,70)65-49-25-17-9-5-11-19-27-51-66(78(71,72)62-43-35-58(2)36-44-62)53-29-21-13-7-15-23-31-55-68(80(75,76)64-47-39-60(4)40-48-64)56-32-24-16-8-14-22-30-54-67(52-28-20-12-6-10-18-26-50-65)79(73,74)63-45-37-59(3)38-46-63/h33-48H,5-32,49-56H2,1-4H3