1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[2-[(2-fluorobenzyl)thio]ethyl]isonipecotamide Formula: C22H26BrFN2O3S2 MolecularWeight: 529.485843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrFN2O3S2/c23-20-7-5-17(6-8-20)16-31(28,29)26-12-9-18(10-13-26)22(27)25-11-14-30-15-19-3-1-2-4-21(19)24/h1-8,18H,9-16H2,(H,25,27)