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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(methylsulfonylamino)benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(methanesulfonamido)benzoate CAS Name: 3-(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 3-(methanesulfonamido)benzoate Traditional Name: 3-(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(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

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