[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-chloranyl-4-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-chloranyl-4-fluoranyl-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-chloro-4-fluoro-benzoate CAS Name: 2-chloro-4-fluorobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-chloro-4-fluorobenzoate Traditional Name: 2-chloro-4-fluoro-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C20H19ClFNO5S MolecularWeight: 439.884963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H19ClFNO5S/c21-18-12-15(22)6-9-17(18)20(25)28-13-19(24)14-4-7-16(8-5-14)29(26,27)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2