2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-fluoro-4-methyl-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-fluoro-4-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-fluoro-4-methylbenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3-fluoro-4-methyl-benzoyl)amino]-4-mesyl-butyric acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)F

InChI

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