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

Systemtic Name: [3-(4-methylphenyl)sulfonyloxy-2-pyridin-2-yl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-(p-tolylsulfonyloxy)-2-(2-pyridyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(4-methylphenyl)sulfonyloxy-2-(2-pyridinyl)propyl] ester IUPAC Name: [3-(4-methylphenyl)sulfonyloxy-2-pyridin-2-ylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-pyridyl)-3-tosyloxy-propyl] ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=N3

InChI

InChI=1S/C22H23NO6S2/c1-17-6-10-20(11-7-17)30(24,25)28-15-19(22-5-3-4-14-23-22)16-29-31(26,27)21-12-8-18(2)9-13-21/h3-14,19H,15-16H2,1-2H3