3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[2-(ethylamino)-2-oxidanylidene-ethyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[2-(ethylamino)-2-oxo-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[2-(ethylamino)-2-oxoethyl]sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[2-(ethylamino)-2-oxoethyl]sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[2-(ethylamino)-2-keto-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C12H14FNO5S MolecularWeight: 303.306663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCNC(=O)CS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

InChI=1S/C12H14FNO5S/c1-3-14-11(15)6-20(18,19)10-5-8(12(16)17)4-9(13)7(10)2/h4-5H,3,6H2,1-2H3,(H,14,15)(H,16,17)