4-[ethyl-(4-fluoranyl-2-methyl-phenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[ethyl-(4-fluoranyl-2-methyl-phenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[ethyl-(4-fluoro-2-methyl-phenyl)sulfonyl-amino]butanoic acid CAS Name: 4-[ethyl-(4-fluoro-2-methylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[ethyl-(4-fluoro-2-methylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-[ethyl-(4-fluoro-2-methyl-phenyl)sulfonyl-amino]butyric acid Formula: C13H18FNO4S MolecularWeight: 303.349723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)F)C

Isomeric SMILES

CCN(CCCC(=O)O)S(=O)(=O)C1=C(C=C(C=C1)F)C

InChI

InChI=1S/C13H18FNO4S/c1-3-15(8-4-5-13(16)17)20(18,19)12-7-6-11(14)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3,(H,16,17)