2-[2-(3-fluorophenyl)ethanoylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[2-(3-fluorophenyl)ethanoylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[2-(3-fluorophenyl)acetyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[2-(3-fluorophenyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[2-(3-fluorophenyl)acetyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[2-(3-fluorophenyl)acetyl]amino]-4-mesyl-butyric acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)CC1=CC(=CC=C1)F

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)CC1=CC(=CC=C1)F

InChI

InChI=1S/C13H16FNO5S/c1-21(19,20)6-5-11(13(17)18)15-12(16)8-9-3-2-4-10(14)7-9/h2-4,7,11H,5-6,8H2,1H3,(H,15,16)(H,17,18)