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

Systemtic Name: 3-(2-dimethylaminoethylsulfonyl)-4-fluoranyl-benzoic acid Openeye Name: 3-(2-dimethylaminoethylsulfonyl)-4-fluoro-benzoic acid CAS Name: 3-(2-dimethylaminoethylsulfonyl)-4-fluorobenzoic acid IUPAC Name: 3-(2-dimethylaminoethylsulfonyl)-4-fluorobenzoic acid Traditional Name: 3-(2-dimethylaminoethylsulfonyl)-4-fluoro-benzoic acid Formula: C11H14FNO4S MolecularWeight: 275.296563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14FNO4S/c1-13(2)5-6-18(16,17)10-7-8(11(14)15)3-4-9(10)12/h3-4,7H,5-6H2,1-2H3,(H,14,15)