2-chloranyl-5-[3-(diethylcarbamoyl)piperidin-1-yl]sulfonyl-4-fluoranyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(diethylcarbamoyl)piperidin-1-yl]sulfonyl-4-fluoranyl-benzoic acid Openeye Name: 2-chloro-5-[[3-(diethylcarbamoyl)-1-piperidyl]sulfonyl]-4-fluoro-benzoic acid CAS Name: 2-chloro-5-[[3-[diethylamino(oxo)methyl]-1-piperidinyl]sulfonyl]-4-fluorobenzoic acid IUPAC Name: 2-chloro-5-[3-(diethylcarbamoyl)piperidin-1-yl]sulfonyl-4-fluorobenzoic acid Traditional Name: 2-chloro-5-[3-(diethylcarbamoyl)piperidino]sulfonyl-4-fluoro-benzoic acid Formula: C17H22ClFN2O5S MolecularWeight: 420.883383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)F

InChI

InChI=1S/C17H22ClFN2O5S/c1-3-20(4-2)16(22)11-6-5-7-21(10-11)27(25,26)15-8-12(17(23)24)13(18)9-14(15)19/h8-9,11H,3-7,10H2,1-2H3,(H,23,24)