[5-acetamido-2-methoxy-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] benzoate

Systemtic Name: [5-acetamido-2-methoxy-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] benzoate Openeye Name: [5-acetamido-2-methoxy-4-(p-tolylsulfonyloxy)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [5-acetamido-2-methoxy-4-(4-methylphenyl)sulfonyloxy-3-oxanyl] ester IUPAC Name: [5-acetamido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate Traditional Name: benzoic acid (5-acetamido-2-methoxy-4-tosyloxy-tetrahydropyran-3-yl) ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(COC(C2OC(=O)C3=CC=CC=C3)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C(COC(C2OC(=O)C3=CC=CC=C3)OC)NC(=O)C

InChI

InChI=1S/C22H25NO8S/c1-14-9-11-17(12-10-14)32(26,27)31-19-18(23-15(2)24)13-29-22(28-3)20(19)30-21(25)16-7-5-4-6-8-16/h4-12,18-20,22H,13H2,1-3H3,(H,23,24)