3-[2-cyanoethyl(methyl)sulfamoyl]-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[2-cyanoethyl(methyl)sulfamoyl]-5-fluoro-4-methyl-benzoic acid Formula: C12H13FN2O4S MolecularWeight: 300.306023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N(C)CCC#N)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N(C)CCC#N)C(=O)O)F

InChI

InChI=1S/C12H13FN2O4S/c1-8-10(13)6-9(12(16)17)7-11(8)20(18,19)15(2)5-3-4-14/h6-7H,3,5H2,1-2H3,(H,16,17)