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

Systemtic Name: 3-fluoranyl-4-methyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 3-fluoro-5-[2-(isopropylamino)-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-fluoro-5-[2-(isopropylamino)-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC(=O)NC(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC(=O)NC(C)C)C(=O)O)F

InChI

InChI=1S/C13H16FNO5S/c1-7(2)15-12(16)6-21(19,20)11-5-9(13(17)18)4-10(14)8(11)3/h4-5,7H,6H2,1-3H3,(H,15,16)(H,17,18)