[2-(cyanomethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(cyanomethyl)-3-(4-methylphenyl)sulfonyloxy-propyl] 4-methylbenzenesulfonate Openeye Name: [2-(cyanomethyl)-3-(p-tolylsulfonyloxy)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyanomethyl)-3-(4-methylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2-(cyanomethyl)-3-(4-methylphenyl)sulfonyloxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyanomethyl)-3-tosyloxy-propyl] ester Formula: C19H21NO6S2 MolecularWeight: 423.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S2/c1-15-3-7-18(8-4-15)27(21,22)25-13-17(11-12-20)14-26-28(23,24)19-9-5-16(2)6-10-19/h3-10,17H,11,13-14H2,1-2H3