1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13-tetrazacyclohexadecane

Systemtic Name: 1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13-tetrazacyclohexadecane Openeye Name: 1,5,9,13-tetrakis(p-tolylsulfonyl)-1,5,9,13-tetrazacyclohexadecane CAS Name: 1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13-tetrazacyclohexadecane IUPAC Name: 1,5,9,13-tetrakis-(4-methylphenyl)sulfonyl-1,5,9,13-tetrazacyclohexadecane Traditional Name: 1,5,9,13-tetratosyl-1,5,9,13-tetrazacyclohexadecane Formula: C40H52N4O8S4 MolecularWeight: 845.12288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CCCN(CCC2)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)N2CCCN(CCCN(CCCN(CCC2)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/C40H52N4O8S4/c1-33-9-17-37(18-10-33)53(45,46)41-25-5-27-42(54(47,48)38-19-11-34(2)12-20-38)29-7-31-44(56(51,52)40-23-15-36(4)16-24-40)32-8-30-43(28-6-26-41)55(49,50)39-21-13-35(3)14-22-39/h9-24H,5-8,25-32H2,1-4H3