2-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(3-fluoro-4-methylphenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(3-fluoro-4-methylphenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-3-methyl-valeric acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FNO4S/c1-4-8(2)12(13(16)17)15-20(18,19)10-6-5-9(3)11(14)7-10/h5-8,12,15H,4H2,1-3H3,(H,16,17)