methyl 4-bromanyl-2-ethyl-3-sulfamoyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-ethyl-3-sulfamoyl-benzoate Openeye Name: methyl 4-bromo-2-ethyl-3-sulfamoyl-benzoate CAS Name: 4-bromo-2-ethyl-3-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-bromo-2-ethyl-3-sulfamoylbenzoate Traditional Name: 4-bromo-2-ethyl-3-sulfamoyl-benzoic acid methyl ester Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1S(=O)(=O)N)Br)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1S(=O)(=O)N)Br)C(=O)OC

InChI

InChI=1S/C10H12BrNO4S/c1-3-6-7(10(13)16-2)4-5-8(11)9(6)17(12,14)15/h4-5H,3H2,1-2H3,(H2,12,14,15)