[4-bromanyl-6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-bromanyl-6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-bromo-6-(p-tolylsulfonyloxymethyl)-2-pyridyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-6-[(4-methylphenyl)sulfonyloxymethyl]-2-pyridinyl]methyl ester IUPAC Name: [4-bromo-6-[(4-methylphenyl)sulfonyloxymethyl]pyridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-6-(tosyloxymethyl)-2-pyridyl]methyl ester Formula: C21H20BrNO6S2 MolecularWeight: 526.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=N2)COS(=O)(=O)C3=CC=C(C=C3)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=N2)COS(=O)(=O)C3=CC=C(C=C3)C)Br

InChI

InChI=1S/C21H20BrNO6S2/c1-15-3-7-20(8-4-15)30(24,25)28-13-18-11-17(22)12-19(23-18)14-29-31(26,27)21-9-5-16(2)6-10-21/h3-12H,13-14H2,1-2H3