[(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methylsulfonylbenzoate

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methylsulfonylbenzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C23H19FO6S MolecularWeight: 442.456763

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H19FO6S/c1-31(26,27)20-9-5-8-16(12-20)22(25)28-13-17-10-19(24)11-18-14-29-23(30-21(17)18)15-6-3-2-4-7-15/h2-12,23H,13-14H2,1H3/t23-/m0/s1