3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene

Systemtic Name: 3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene Openeye Name: 3,9-bis(p-tolylsulfonyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene CAS Name: 3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene IUPAC Name: 3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene Traditional Name: 3,9-ditosyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC3=CC=CC(=N3)C2)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CC3=CC=CC(=N3)C2)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4O4S2/c1-20-6-10-24(11-7-20)34(30,31)28-16-14-26-15-17-29(19-23-5-3-4-22(18-28)27-23)35(32,33)25-12-8-21(2)9-13-25/h3-13,26H,14-19H2,1-2H3