3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(2-amino-1-methyl-2-oxo-ethyl)sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(1-amino-1-oxopropan-2-yl)sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(2-amino-2-keto-1-methyl-ethyl)sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C11H12FNO5S MolecularWeight: 289.280083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)C(C)C(=O)N)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C(C)C(=O)N)C(=O)O)F

InChI

InChI=1S/C11H12FNO5S/c1-5-8(12)3-7(11(15)16)4-9(5)19(17,18)6(2)10(13)14/h3-4,6H,1-2H3,(H2,13,14)(H,15,16)