[2,2-bis(azidomethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2,2-bis(azidomethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [2,2-bis(azidomethyl)-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-bis(azidomethyl)-3-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2,2-bis(azidomethyl)-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-bis(azidomethyl)-3-tosyloxy-propyl] ester Formula: C19H22N6O6S2 MolecularWeight: 494.54458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=[N+]=[N-])(CN=[N+]=[N-])COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN=[N+]=[N-])(CN=[N+]=[N-])COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22N6O6S2/c1-15-3-7-17(8-4-15)32(26,27)30-13-19(11-22-24-20,12-23-25-21)14-31-33(28,29)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3