1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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