4-fluoranyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 4-fluoranyl-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Openeye Name: 4-fluoro-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid CAS Name: 4-fluoro-3-[2-(1-pyrrolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-fluoro-3-(2-pyrrolidin-1-ylethylsulfonyl)benzoic acid Traditional Name: 4-fluoro-3-(2-pyrrolidinoethylsulfonyl)benzoic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO4S/c14-11-4-3-10(13(16)17)9-12(11)20(18,19)8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2,(H,16,17)