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

Systemtic Name: [6-[(4-methylphenyl)sulfonyloxymethyl]-4-(oxan-2-yloxy)pyridin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-(p-tolylsulfonyloxymethyl)-4-tetrahydropyran-2-yloxy-2-pyridyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[(4-methylphenyl)sulfonyloxymethyl]-4-(2-oxanyloxy)-2-pyridinyl]methyl ester IUPAC Name: [6-[(4-methylphenyl)sulfonyloxymethyl]-4-(oxan-2-yloxy)pyridin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-tetrahydropyran-2-yloxy-6-(tosyloxymethyl)-2-pyridyl]methyl ester Formula: C26H29NO8S2 MolecularWeight: 547.64036

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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)OC4CCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=CC(=N2)COS(=O)(=O)C3=CC=C(C=C3)C)OC4CCCCO4

InChI

InChI=1S/C26H29NO8S2/c1-19-6-10-24(11-7-19)36(28,29)33-17-21-15-23(35-26-5-3-4-14-32-26)16-22(27-21)18-34-37(30,31)25-12-8-20(2)9-13-25/h6-13,15-16,26H,3-5,14,17-18H2,1-2H3