1-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Openeye Name: 1-(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane Traditional Name: 1-tosyl-1,4,7,10-tetrazacyclododecane Formula: C15H26N4O2S MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCCNCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCNCCNCC2

InChI

InChI=1S/C15H26N4O2S/c1-14-2-4-15(5-3-14)22(20,21)19-12-10-17-8-6-16-7-9-18-11-13-19/h2-5,16-18H,6-13H2,1H3