methyl 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]sulfamoyl]benzoate

Systemtic Name: methyl 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]sulfamoyl]benzoate Openeye Name: methyl 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]sulfamoyl]benzoate CAS Name: 2-[[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-fluorophenyl)sulfanylpropanoylamino]sulfamoyl]benzoate Traditional Name: 2-[[3-[(4-fluorophenyl)thio]propanoylamino]sulfamoyl]benzoic acid methyl ester Formula: C17H17FN2O5S2 MolecularWeight: 412.455683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NNC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN2O5S2/c1-25-17(22)14-4-2-3-5-15(14)27(23,24)20-19-16(21)10-11-26-13-8-6-12(18)7-9-13/h2-9,20H,10-11H2,1H3,(H,19,21)