1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-(3-chloranyl-4-fluoranyl-phenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-(3-chloro-4-fluoro-phenyl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-chloro-4-fluorophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-chloro-4-fluoro-phenyl)thio]acetyl]isonipecotate Formula: C14H14ClFNO3S- MolecularWeight: 330.782263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H15ClFNO3S/c15-11-7-10(1-2-12(11)16)21-8-13(18)17-5-3-9(4-6-17)14(19)20/h1-2,7,9H,3-6,8H2,(H,19,20)/p-1