2,6-bis(fluoranyl)-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 2,6-difluoro-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 2,6-difluoro-3-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 2,6-difluoro-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 2,6-difluoro-3-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C13H15F2NO4S MolecularWeight: 319.324306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCS(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)O)F

Isomeric SMILES

C1CCN(C1)CCS(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)O)F

InChI

InChI=1S/C13H15F2NO4S/c14-9-3-4-10(12(15)11(9)13(17)18)21(19,20)8-7-16-5-1-2-6-16/h3-4H,1-2,5-8H2,(H,17,18)