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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)O)F

InChI

InChI=1S/C13H18FNO4S/c1-8(2)6-12(13(16)17)15-20(18,19)10-5-4-9(3)11(14)7-10/h4-5,7-8,12,15H,6H2,1-3H3,(H,16,17)