N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN3O3S2/c23-20-5-7-21(8-6-20)31(28,29)26-12-9-17(10-13-26)22(27)25-11-14-30-16-19-4-2-1-3-18(19)15-24/h1-8,17H,9-14,16H2,(H,25,27)