3-chloranyl-2-fluoranyl-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 3-chloranyl-2-fluoranyl-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 3-chloro-2-fluoro-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 3-chloro-2-fluoro-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 3-chloro-2-fluoro-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 3-chloro-2-fluoro-5-piperidinosulfonyl-benzoic acid Formula: C12H13ClFNO4S MolecularWeight: 321.752323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)F)Cl

InChI

InChI=1S/C12H13ClFNO4S/c13-10-7-8(6-9(11(10)14)12(16)17)20(18,19)15-4-2-1-3-5-15/h6-7H,1-5H2,(H,16,17)