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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCCNC(=O)CS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

InChI=1S/C13H16FNO5S/c1-3-4-15-12(16)7-21(19,20)11-6-9(13(17)18)5-10(14)8(11)2/h5-6H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)