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

Systemtic Name: [6-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylmethoxy-pyridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-benzyloxy-6-(p-tolylsulfonyloxymethyl)-2-pyridyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylmethoxy-2-pyridinyl]methyl ester IUPAC Name: [6-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylmethoxypyridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-benzoxy-6-(tosyloxymethyl)-2-pyridyl]methyl ester Formula: C28H27NO7S2 MolecularWeight: 553.64648

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=N2)COS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO7S2/c1-21-8-12-27(13-9-21)37(30,31)35-19-24-16-26(34-18-23-6-4-3-5-7-23)17-25(29-24)20-36-38(32,33)28-14-10-22(2)11-15-28/h3-17H,18-20H2,1-2H3