3,7,11-trimethylidene-1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

Systemtic Name: 3,7,11-trimethylidene-1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 3,7,11-trimethylene-1,5,9-tris(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 3,7,11-trimethylene-1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 3,7,11-trimethylidene-1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 3,7,11-trimethylene-1,5,9-tritosyl-1,5,9-triazacyclododecane Formula: C33H39N3O6S3 MolecularWeight: 669.87426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CN(CC(=C)CN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CN(CC(=C)CN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C33H39N3O6S3/c1-25-7-13-31(14-8-25)43(37,38)34-19-28(4)21-35(44(39,40)32-15-9-26(2)10-16-32)23-30(6)24-36(22-29(5)20-34)45(41,42)33-17-11-27(3)12-18-33/h7-18H,4-6,19-24H2,1-3H3