3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane

Systemtic Name: 3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Openeye Name: 3-methylene-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane CAS Name: 3-methylene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane IUPAC Name: 3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane Traditional Name: 3-methylene-1,5-ditosyl-1,5,9-triazacyclododecane Formula: C24H33N3O4S2 MolecularWeight: 491.66652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C24H33N3O4S2/c1-20-6-10-23(11-7-20)32(28,29)26-16-4-14-25-15-5-17-27(19-22(3)18-26)33(30,31)24-12-8-21(2)9-13-24/h6-13,25H,3-5,14-19H2,1-2H3