4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid

Systemtic Name: 4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid Openeye Name: 4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid CAS Name: 4-[2-(phenylthio)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid Traditional Name: 4-[2-(phenylthio)phenyl]isonipecotic acid Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=CC=C2SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNCCC1(C2=CC=CC=C2SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H19NO2S/c20-17(21)18(10-12-19-13-11-18)15-8-4-5-9-16(15)22-14-6-2-1-3-7-14/h1-9,19H,10-13H2,(H,20,21)