N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-[(2-fluorophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-1-(2-fluorobenzyl)nipecotamide Formula: C21H24ClFN2OS MolecularWeight: 406.944463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2F)C(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2F)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClFN2OS/c22-18-7-9-19(10-8-18)27-13-11-24-21(26)17-5-3-12-25(15-17)14-16-4-1-2-6-20(16)23/h1-2,4,6-10,17H,3,5,11-15H2,(H,24,26)