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

Systemtic Name: [(2S)-6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-sulfamoylbenzoate Openeye Name: [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic 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 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C22H18FNO6S MolecularWeight: 443.444823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N)F

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N)F

InChI

InChI=1S/C22H18FNO6S/c23-18-10-16(12-28-21(25)14-6-8-19(9-7-14)31(24,26)27)20-17(11-18)13-29-22(30-20)15-4-2-1-3-5-15/h1-11,22H,12-13H2,(H2,24,26,27)/t22-/m0/s1