N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]isonipecotamide Formula: C22H26ClFN2O3S2 MolecularWeight: 485.034843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)CC3=CC=CC=C3

InChI

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