4-fluoranyl-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[2-(isobutylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 4-fluoro-3-[2-(2-methylpropylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[2-(isobutylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CC(C)CNC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C13H16FNO5S/c1-8(2)6-15-12(16)7-21(19,20)11-5-9(13(17)18)3-4-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)