N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C19H22ClFN2O3S3 MolecularWeight: 477.035983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

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