methyl 4-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoate CAS Name: 4-[2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]ethyl]benzoate Traditional Name: 4-[2-[(2-bromo-4,5-dimethoxy-phenyl)sulfonylamino]ethyl]benzoic acid methyl ester Formula: C18H20BrNO6S MolecularWeight: 458.3235

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20BrNO6S/c1-24-15-10-14(19)17(11-16(15)25-2)27(22,23)20-9-8-12-4-6-13(7-5-12)18(21)26-3/h4-7,10-11,20H,8-9H2,1-3H3