3-[(4-acetamido-2-fluoranyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 3-[(4-acetamido-2-fluoranyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 3-[(4-acetamido-2-fluoro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(4-acetamido-2-fluoro-phenyl)sulfonylamino]butyric acid Formula: C12H15FN2O5S MolecularWeight: 318.321303

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C)F

Isomeric SMILES

CC(CC(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)NC(=O)C)F

InChI

InChI=1S/C12H15FN2O5S/c1-7(5-12(17)18)15-21(19,20)11-4-3-9(6-10(11)13)14-8(2)16/h3-4,6-7,15H,5H2,1-2H3,(H,14,16)(H,17,18)