N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]ethyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylethyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]ethyl]-1-esyl-isonipecotamide Formula: C16H21ClF3N3O3S2 MolecularWeight: 459.93445

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NCCSC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H21ClF3N3O3S2/c1-2-28(25,26)23-6-3-11(4-7-23)14(24)21-5-8-27-15-13(17)9-12(10-22-15)16(18,19)20/h9-11H,2-8H2,1H3,(H,21,24)