(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(methylsulfonyl)amino]benzoate

Systemtic Name: (6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(methylsulfonyl)amino]benzoate Openeye Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(methylsulfonyl)amino]benzoate CAS Name: 2-[methyl(methylsulfonyl)amino]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 2-[methyl(methylsulfonyl)amino]benzoate Traditional Name: 2-[mesyl(methyl)amino]benzoic acid (6-fluoro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)F)COCO3)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OCC2=C3C(=CC(=C2)F)COCO3)S(=O)(=O)C

InChI

InChI=1S/C18H18FNO6S/c1-20(27(2,22)23)16-6-4-3-5-15(16)18(21)25-10-13-8-14(19)7-12-9-24-11-26-17(12)13/h3-8H,9-11H2,1-2H3