3-(2-dimethylaminoethylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-(2-dimethylaminoethylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(2-dimethylaminoethylsulfonyl)-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(2-dimethylaminoethylsulfonyl)-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(2-dimethylaminoethylsulfonyl)-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(2-dimethylaminoethylsulfonyl)-5-fluoro-4-methyl-benzoic acid Formula: C12H16FNO4S MolecularWeight: 289.323143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FNO4S/c1-8-10(13)6-9(12(15)16)7-11(8)19(17,18)5-4-14(2)3/h6-7H,4-5H2,1-3H3,(H,15,16)