1,5,9,13-tetrakis[(2-methylphenyl)sulfonyl]-1,5,9,13-tetrazacyclohexadecane

Systemtic Name: 1,5,9,13-tetrakis[(2-methylphenyl)sulfonyl]-1,5,9,13-tetrazacyclohexadecane Openeye Name: 1,5,9,13-tetrakis(o-tolylsulfonyl)-1,5,9,13-tetrazacyclohexadecane CAS Name: 1,5,9,13-tetrakis[(2-methylphenyl)sulfonyl]-1,5,9,13-tetrazacyclohexadecane IUPAC Name: 1,5,9,13-tetrakis[(2-methylphenyl)sulfonyl]-1,5,9,13-tetrazacyclohexadecane Traditional Name: 1,5,9,13-tetrakis(o-tolylsulfonyl)-1,5,9,13-tetrazacyclohexadecane Formula: C40H52N4O8S4 MolecularWeight: 845.12288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCN(CCCN(CCCN(CCC2)S(=O)(=O)C3=CC=CC=C3C)S(=O)(=O)C4=CC=CC=C4C)S(=O)(=O)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCN(CCCN(CCCN(CCC2)S(=O)(=O)C3=CC=CC=C3C)S(=O)(=O)C4=CC=CC=C4C)S(=O)(=O)C5=CC=CC=C5C

InChI

InChI=1S/C40H52N4O8S4/c1-33-17-5-9-21-37(33)53(45,46)41-25-13-27-42(54(47,48)38-22-10-6-18-34(38)2)29-15-31-44(56(51,52)40-24-12-8-20-36(40)4)32-16-30-43(28-14-26-41)55(49,50)39-23-11-7-19-35(39)3/h5-12,17-24H,13-16,25-32H2,1-4H3