1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(2-chloro-6-fluoro-benzyl)sulfonyl-isonipecotamide Formula: C22H26ClFN2O3S2 MolecularWeight: 485.034843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2O3S2/c23-20-7-4-8-21(24)19(20)16-31(28,29)26-12-9-18(10-13-26)22(27)25-11-14-30-15-17-5-2-1-3-6-17/h1-8,18H,9-16H2,(H,25,27)