1-ethanoyl-4-[2-(4-fluorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid

Systemtic Name: 1-ethanoyl-4-[2-(4-fluorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid Openeye Name: 1-acetyl-4-[2-(4-fluorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid CAS Name: 1-acetyl-4-[2-[(4-fluorophenyl)thio]phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-4-[2-(4-fluorophenyl)sulfanylphenyl]piperidine-4-carboxylic acid Traditional Name: 1-acetyl-4-[2-[(4-fluorophenyl)thio]phenyl]isonipecotic acid Formula: C20H20FNO3S MolecularWeight: 373.441103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2SC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2SC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H20FNO3S/c1-14(23)22-12-10-20(11-13-22,19(24)25)17-4-2-3-5-18(17)26-16-8-6-15(21)7-9-16/h2-9H,10-13H2,1H3,(H,24,25)