4-fluoranyl-3-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-fluoro-3-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[2-keto-1-methyl-2-(propargylamino)ethyl]sulfonyl-benzoic acid Formula: C13H12FNO5S MolecularWeight: 313.301483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CC(C(=O)NCC#C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

InChI

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