5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[2-cyanoethyl(isopropyl)sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[2-cyanoethyl(propan-2-yl)sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[2-cyanoethyl(isopropyl)sulfamoyl]-2-fluoro-benzoic acid Formula: C13H15FN2O4S MolecularWeight: 314.332603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O4S/c1-9(2)16(7-3-6-15)21(19,20)10-4-5-12(14)11(8-10)13(17)18/h4-5,8-9H,3,7H2,1-2H3,(H,17,18)