1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxylate IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotate Formula: C12H12ClFNO4S- MolecularWeight: 320.744383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C12H13ClFNO4S/c13-10-7-9(1-2-11(10)14)20(18,19)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)/p-1