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

Systemtic Name: [2,2-bis(aminomethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [2,2-bis(aminomethyl)-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2,2-bis(aminomethyl)-3-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2,2-bis(aminomethyl)-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2,2-bis(aminomethyl)-3-tosyloxy-propyl] ester Formula: C19H26N2O6S2 MolecularWeight: 442.54954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN)(CN)COS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CN)(CN)COS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H26N2O6S2/c1-15-3-7-17(8-4-15)28(22,23)26-13-19(11-20,12-21)14-27-29(24,25)18-9-5-16(2)6-10-18/h3-10H,11-14,20-21H2,1-2H3