(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methoxybenzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 3-(diethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methoxy-benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H24FNO7S MolecularWeight: 453.481163

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COCO3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)F)COCO3)OC

InChI

InChI=1S/C21H24FNO7S/c1-4-23(5-2)31(25,26)19-10-14(6-7-18(19)27-3)21(24)29-12-16-9-17(22)8-15-11-28-13-30-20(15)16/h6-10H,4-5,11-13H2,1-3H3