(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(methylsulfonylamino)benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(methylsulfonylamino)benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H16BrNO6S/c1-26(21,22)19-14-5-3-2-4-12(14)17(20)25-10-11-8-15-16(9-13(11)18)24-7-6-23-15/h2-5,8-9,19H,6-7,10H2,1H3