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

Systemtic Name: 3-(2-diethylaminoethylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(2-diethylaminoethylsulfonyl)-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(2-diethylaminoethylsulfonyl)-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(2-diethylaminoethylsulfonyl)-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(2-diethylaminoethylsulfonyl)-5-fluoro-4-methyl-benzoic acid Formula: C14H20FNO4S MolecularWeight: 317.376303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCN(CC)CCS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

InChI=1S/C14H20FNO4S/c1-4-16(5-2)6-7-21(19,20)13-9-11(14(17)18)8-12(15)10(13)3/h8-9H,4-7H2,1-3H3,(H,17,18)