N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H24FN3O3S2 MolecularWeight: 437.551263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H24FN3O3S2/c21-19-6-2-1-4-17(19)15-28-13-10-23-20(25)16-7-11-24(12-8-16)29(26,27)18-5-3-9-22-14-18/h1-6,9,14,16H,7-8,10-13,15H2,(H,23,25)