(2-bromanyl-4,5-dimethoxy-phenyl)methyl 3-(methylsulfonylamino)benzoate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 3-(methylsulfonylamino)benzoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 3-(methanesulfonamido)benzoate CAS Name: 3-(methanesulfonamido)benzoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 3-(methanesulfonamido)benzoate Traditional Name: 3-(methanesulfonamido)benzoic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC(=CC=C2)NS(=O)(=O)C)Br)OC

InChI

InChI=1S/C17H18BrNO6S/c1-23-15-8-12(14(18)9-16(15)24-2)10-25-17(20)11-5-4-6-13(7-11)19-26(3,21)22/h4-9,19H,10H2,1-3H3