methyl 2-butyl-4-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-butyl-4-fluoranyl-5-sulfamoyl-benzoate Openeye Name: methyl 2-butyl-4-fluoro-5-sulfamoyl-benzoate CAS Name: 2-butyl-4-fluoro-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-4-fluoro-5-sulfamoylbenzoate Traditional Name: 2-butyl-4-fluoro-5-sulfamoyl-benzoic acid methyl ester Formula: C12H16FNO4S MolecularWeight: 289.323143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)F

Isomeric SMILES

CCCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)F

InChI

InChI=1S/C12H16FNO4S/c1-3-4-5-8-6-10(13)11(19(14,16)17)7-9(8)12(15)18-2/h6-7H,3-5H2,1-2H3,(H2,14,16,17)