1-[2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[[5-chloranyl-2-(4-fluorophenyl)sulfanyl-phenyl]amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[5-chloro-2-(4-fluorophenyl)sulfanyl-anilino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[5-chloro-2-[(4-fluorophenyl)thio]anilino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[5-chloro-2-(4-fluorophenyl)sulfanylanilino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[5-chloro-2-[(4-fluorophenyl)thio]anilino]acetyl]isonipecotamide Formula: C20H21ClFN3O2S MolecularWeight: 421.916043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CNC2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21ClFN3O2S/c21-14-1-6-18(28-16-4-2-15(22)3-5-16)17(11-14)24-12-19(26)25-9-7-13(8-10-25)20(23)27/h1-6,11,13,24H,7-10,12H2,(H2,23,27)