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

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H22ClFN2O3S3 MolecularWeight: 477.035983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H22ClFN2O3S3/c20-16-3-1-4-17(21)15(16)13-27-12-8-22-19(24)14-6-9-23(10-7-14)29(25,26)18-5-2-11-28-18/h1-5,11,14H,6-10,12-13H2,(H,22,24)