3-[[4-cyano-2-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid

Systemtic Name: 3-[[4-cyano-2-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid Openeye Name: 3-[[4-cyano-2-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid CAS Name: 3-[[4-cyano-2-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid IUPAC Name: 3-[[4-cyano-2-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid Traditional Name: 3-[[4-cyano-2-(trifluoromethyl)phenyl]sulfamoyl]propionic acid Formula: C11H9F3N2O4S MolecularWeight: 322.26037

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)C(F)(F)F)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)C(F)(F)F)NS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H9F3N2O4S/c12-11(13,14)8-5-7(6-15)1-2-9(8)16-21(19,20)4-3-10(17)18/h1-2,5,16H,3-4H2,(H,17,18)