5-bromanyl-3-(2-diethylaminoethylsulfonyl)-2-fluoranyl-benzoic acid

Systemtic Name: 5-bromanyl-3-(2-diethylaminoethylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-(2-diethylaminoethylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-bromo-3-(2-diethylaminoethylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-(2-diethylaminoethylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-bromo-3-(2-diethylaminoethylsulfonyl)-2-fluoro-benzoic acid Formula: C13H17BrFNO4S MolecularWeight: 382.245783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrFNO4S/c1-3-16(4-2)5-6-21(19,20)11-8-9(14)7-10(12(11)15)13(17)18/h7-8H,3-6H2,1-2H3,(H,17,18)