5-chloranyl-2-fluoranyl-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-fluoranyl-3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 5-chloro-2-fluoro-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 5-chloro-2-fluoro-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 5-chloro-2-fluoro-3-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 5-chloro-2-fluoro-3-[2-keto-2-(propargylamino)ethyl]sulfonyl-benzoic acid Formula: C12H9ClFNO5S MolecularWeight: 333.719963

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F

Isomeric SMILES

C#CCNC(=O)CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F

InChI

InChI=1S/C12H9ClFNO5S/c1-2-3-15-10(16)6-21(19,20)9-5-7(13)4-8(11(9)14)12(17)18/h1,4-5H,3,6H2,(H,15,16)(H,17,18)