[1,5-bis-(4-methylphenyl)sulfonyl-7-(4-methylphenyl)sulfonyloxy-1,5-diazocan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1,5-bis-(4-methylphenyl)sulfonyl-7-(4-methylphenyl)sulfonyloxy-1,5-diazocan-3-yl] 4-methylbenzenesulfonate Openeye Name: [1,5-bis(p-tolylsulfonyl)-7-(p-tolylsulfonyloxy)-1,5-diazocan-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,5-bis-(4-methylphenyl)sulfonyl-7-(4-methylphenyl)sulfonyloxy-1,5-diazocan-3-yl] ester IUPAC Name: [1,5-bis-(4-methylphenyl)sulfonyl-7-(4-methylphenyl)sulfonyloxy-1,5-diazocan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,5-ditosyl-7-tosyloxy-1,5-diazocan-3-yl) ester Formula: C34H38N2O10S4 MolecularWeight: 762.93292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CC(C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CN(CC(C2)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H38N2O10S4/c1-25-5-13-31(14-6-25)47(37,38)35-21-29(45-49(41,42)33-17-9-27(3)10-18-33)23-36(48(39,40)32-15-7-26(2)8-16-32)24-30(22-35)46-50(43,44)34-19-11-28(4)12-20-34/h5-20,29-30H,21-24H2,1-4H3