3-fluoranyl-4-methyl-5-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-fluoro-5-[2-keto-2-(propargylamino)ethyl]sulfonyl-4-methyl-benzoic acid Formula: C13H12FNO5S MolecularWeight: 313.301483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12FNO5S/c1-3-4-15-12(16)7-21(19,20)11-6-9(13(17)18)5-10(14)8(11)2/h1,5-6H,4,7H2,2H3,(H,15,16)(H,17,18)