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

Systemtic Name: 5-bromanyl-3-(2-dimethylaminoethylsulfonyl)-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-(2-dimethylaminoethylsulfonyl)-2-fluoro-benzoic acid CAS Name: 5-bromo-3-(2-dimethylaminoethylsulfonyl)-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-(2-dimethylaminoethylsulfonyl)-2-fluorobenzoic acid Traditional Name: 5-bromo-3-(2-dimethylaminoethylsulfonyl)-2-fluoro-benzoic acid Formula: C11H13BrFNO4S MolecularWeight: 354.192623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrFNO4S/c1-14(2)3-4-19(17,18)9-6-7(12)5-8(10(9)13)11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)