5-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(2-amino-4-methylsulfonyl-butanoyl)amino]-2-fluoro-benzoic acid CAS Name: 5-[(2-amino-4-methylsulfonyl-1-oxobutyl)amino]-2-fluorobenzoic acid IUPAC Name: 5-[(2-amino-4-methylsulfonylbutanoyl)amino]-2-fluorobenzoic acid Traditional Name: 5-[(2-amino-4-mesyl-butanoyl)amino]-2-fluoro-benzoic acid Formula: C12H15FN2O5S MolecularWeight: 318.321303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC1=CC(=C(C=C1)F)C(=O)O)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC1=CC(=C(C=C1)F)C(=O)O)N

InChI

InChI=1S/C12H15FN2O5S/c1-21(19,20)5-4-10(14)11(16)15-7-2-3-9(13)8(6-7)12(17)18/h2-3,6,10H,4-5,14H2,1H3,(H,15,16)(H,17,18)