3-[bis(cyanomethyl)sulfamoyl]-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[bis(cyanomethyl)sulfamoyl]-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[bis(cyanomethyl)sulfamoyl]-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[bis(cyanomethyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[bis(cyanomethyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[bis(cyanomethyl)sulfamoyl]-5-fluoro-4-methyl-benzoic acid Formula: C12H10FN3O4S MolecularWeight: 311.288903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10FN3O4S/c1-8-10(13)6-9(12(17)18)7-11(8)21(19,20)16(4-2-14)5-3-15/h6-7H,4-5H2,1H3,(H,17,18)