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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[2-(phenylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-[2-(phenylthio)ethyl]isonipecotamide Formula: C21H24ClFN2O3S2 MolecularWeight: 471.008263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCSC2=CC=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O3S2/c22-19-7-4-8-20(23)18(19)15-30(27,28)25-12-9-16(10-13-25)21(26)24-11-14-29-17-5-2-1-3-6-17/h1-8,16H,9-15H2,(H,24,26)