1,1,2,2-tetrakis-(4-methylphenyl)sulfonylethanamine; 1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,1,2,2-tetrakis-(4-methylphenyl)sulfonylethanamine; 1,4,7,10-tetrazacyclododecane Openeye Name: 1,1,2,2-tetrakis(p-tolylsulfonyl)ethanamine; 1,4,7,10-tetrazacyclododecane CAS Name: 1,1,2,2-tetrakis-(4-methylphenyl)sulfonylethanamine; 1,4,7,10-tetrazacyclododecane IUPAC Name: 1,1,2,2-tetrakis-(4-methylphenyl)sulfonylethanamine; 1,4,7,10-tetrazacyclododecane Traditional Name: 1,1,2,2-tetratosylethylamine; 1,4,7,10-tetrazacyclododecane Formula: C38H51N5O8S4 MolecularWeight: 834.10024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(N)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C.C1CNCCNCCNCCN1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(N)(S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C.C1CNCCNCCNCCN1

InChI

InChI=1S/C30H31NO8S4.C8H20N4/c1-21-5-13-25(14-6-21)40(32,33)29(41(34,35)26-15-7-22(2)8-16-26)30(31,42(36,37)27-17-9-23(3)10-18-27)43(38,39)28-19-11-24(4)12-20-28;1-2-10-5-6-12-8-7-11-4-3-9-1/h5-20,29H,31H2,1-4H3;9-12H,1-8H2