3-(2-diethylaminoethylsulfonyl)-4-fluoranyl-benzoic acid

Systemtic Name: 3-(2-diethylaminoethylsulfonyl)-4-fluoranyl-benzoic acid Openeye Name: 3-(2-diethylaminoethylsulfonyl)-4-fluoro-benzoic acid CAS Name: 3-(2-diethylaminoethylsulfonyl)-4-fluorobenzoic acid IUPAC Name: 3-(2-diethylaminoethylsulfonyl)-4-fluorobenzoic acid Traditional Name: 3-(2-diethylaminoethylsulfonyl)-4-fluoro-benzoic acid Formula: C13H18FNO4S MolecularWeight: 303.349723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)F

InChI

InChI=1S/C13H18FNO4S/c1-3-15(4-2)7-8-20(18,19)12-9-10(13(16)17)5-6-11(12)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)