[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C22H22ClFN2O5S MolecularWeight: 480.936883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN2O5S/c23-19-14-18(7-8-20(19)24)32(29,30)25-12-9-15(10-13-25)22(28)31-17-5-3-16(4-6-17)26-11-1-2-21(26)27/h3-8,14-15H,1-2,9-13H2