4,7,10-tris-(4-methylphenyl)sulfonyl-1-thia-4,7,10-triazacyclododecane

Systemtic Name: 4,7,10-tris-(4-methylphenyl)sulfonyl-1-thia-4,7,10-triazacyclododecane Openeye Name: 4,7,10-tris(p-tolylsulfonyl)-1-thia-4,7,10-triazacyclododecane CAS Name: 4,7,10-tris-(4-methylphenyl)sulfonyl-1-thia-4,7,10-triazacyclododecane IUPAC Name: 4,7,10-tris-(4-methylphenyl)sulfonyl-1-thia-4,7,10-triazacyclododecane Traditional Name: 4,7,10-tritosyl-1-thia-4,7,10-triazacyclododecane Formula: C29H37N3O6S4 MolecularWeight: 651.88058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCN(CC2)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)N2CCN(CCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H37N3O6S4/c1-24-4-10-27(11-5-24)40(33,34)30-16-18-31(41(35,36)28-12-6-25(2)7-13-28)20-22-39-23-21-32(19-17-30)42(37,38)29-14-8-26(3)9-15-29/h4-15H,16-23H2,1-3H3