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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(methylsulfonylamino)benzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic 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 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C23H20FNO6S MolecularWeight: 457.471403

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C23H20FNO6S/c1-32(27,28)25-20-10-6-5-9-19(20)22(26)29-13-16-11-18(24)12-17-14-30-23(31-21(16)17)15-7-3-2-4-8-15/h2-12,23,25H,13-14H2,1H3/t23-/m0/s1