3-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(2-amino-4-methylsulfonyl-butanoyl)amino]-4-fluoro-benzoic acid CAS Name: 3-[(2-amino-4-methylsulfonyl-1-oxobutyl)amino]-4-fluorobenzoic acid IUPAC Name: 3-[(2-amino-4-methylsulfonylbutanoyl)amino]-4-fluorobenzoic acid Traditional Name: 3-[(2-amino-4-mesyl-butanoyl)amino]-4-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=C(C=CC(=C1)C(=O)O)F)N

Isomeric SMILES

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

InChI

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