3-[2-cyanoethyl(methyl)sulfamoyl]-2,6-bis(fluoranyl)benzoic acid

Systemtic Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-2,6-difluoro-benzoic acid CAS Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-2,6-difluorobenzoic acid IUPAC Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-2,6-difluorobenzoic acid Traditional Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-2,6-difluoro-benzoic acid Formula: C11H10F2N2O4S MolecularWeight: 304.269906

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

InChI

InChI=1S/C11H10F2N2O4S/c1-15(6-2-5-14)20(18,19)8-4-3-7(12)9(10(8)13)11(16)17/h3-4H,2,6H2,1H3,(H,16,17)