1,8,15,22-tetrakis-(4-methylphenyl)sulfonyl-1,8,15,22-tetrazacyclooctacosane

Systemtic Name: 1,8,15,22-tetrakis-(4-methylphenyl)sulfonyl-1,8,15,22-tetrazacyclooctacosane Openeye Name: 1,8,15,22-tetrakis(p-tolylsulfonyl)-1,8,15,22-tetrazacyclooctacosane CAS Name: 1,8,15,22-tetrakis-(4-methylphenyl)sulfonyl-1,8,15,22-tetrazacyclooctacosane IUPAC Name: 1,8,15,22-tetrakis-(4-methylphenyl)sulfonyl-1,8,15,22-tetrazacyclooctacosane Traditional Name: 1,8,15,22-tetratosyl-1,8,15,22-tetrazacyclooctacosane Formula: C52H76N4O8S4 MolecularWeight: 1013.44184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCCN(CCCCCCN(CCCCCCN(CCCCCC2)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)N2CCCCCCN(CCCCCCN(CCCCCCN(CCCCCC2)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/C52H76N4O8S4/c1-45-21-29-49(30-22-45)65(57,58)53-37-13-5-7-15-39-54(66(59,60)50-31-23-46(2)24-32-50)41-17-9-11-19-43-56(68(63,64)52-35-27-48(4)28-36-52)44-20-12-10-18-42-55(40-16-8-6-14-38-53)67(61,62)51-33-25-47(3)26-34-51/h21-36H,5-20,37-44H2,1-4H3