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

Systemtic Name: 3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 4-fluoro-3-[2-oxo-2-(sec-butylamino)ethyl]sulfonyl-benzoic acid CAS Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonyl-4-fluorobenzoic acid IUPAC Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]sulfonyl-4-fluorobenzoic acid Traditional Name: 4-fluoro-3-[2-keto-2-(sec-butylamino)ethyl]sulfonyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CCC(C)NC(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

InChI

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