1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

Systemtic Name: 1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 1,5,9-tris(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 1,5,9-tris-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 1,5,9-tritosyl-1,5,9-triazacyclododecane Formula: C30H39N3O6S3 MolecularWeight: 633.84216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CCC2)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)N2CCCN(CCCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H39N3O6S3/c1-25-7-13-28(14-8-25)40(34,35)31-19-4-21-32(41(36,37)29-15-9-26(2)10-16-29)23-6-24-33(22-5-20-31)42(38,39)30-17-11-27(3)12-18-30/h7-18H,4-6,19-24H2,1-3H3