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

Systemtic Name: [7-(4-methylphenyl)sulfonyloxy-1,5-bis(methylsulfonyl)-1,5-diazocan-3-yl] 4-methylbenzenesulfonate Openeye Name: [1,5-bis(methylsulfonyl)-7-(p-tolylsulfonyloxy)-1,5-diazocan-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-(4-methylphenyl)sulfonyloxy-1,5-bis(methylsulfonyl)-1,5-diazocan-3-yl] ester IUPAC Name: [7-(4-methylphenyl)sulfonyloxy-1,5-bis(methylsulfonyl)-1,5-diazocan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,5-dimesyl-7-tosyloxy-1,5-diazocan-3-yl) ester Formula: C22H30N2O10S4 MolecularWeight: 610.741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC(CN(C2)S(=O)(=O)C)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC(CN(C2)S(=O)(=O)C)OS(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C

InChI

InChI=1S/C22H30N2O10S4/c1-17-5-9-21(10-6-17)37(29,30)33-19-13-23(35(3,25)26)15-20(16-24(14-19)36(4,27)28)34-38(31,32)22-11-7-18(2)8-12-22/h5-12,19-20H,13-16H2,1-4H3