[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H16BrNO6S MolecularWeight: 442.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C17H16BrNO6S/c1-10-3-5-12(26(19,22)23)8-13(10)17(21)25-9-15(20)11-4-6-16(24-2)14(18)7-11/h3-8H,9H2,1-2H3,(H2,19,22,23)