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

Systemtic Name: 1-ethanoyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid Openeye Name: 1-acetyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid CAS Name: 1-acetyl-4-[2-(phenylthio)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-acetyl-4-(2-phenylsulfanylphenyl)piperidine-4-carboxylic acid Traditional Name: 1-acetyl-4-[2-(phenylthio)phenyl]isonipecotic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-15(22)21-13-11-20(12-14-21,19(23)24)17-9-5-6-10-18(17)25-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,24)