1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-pyridin-3-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-pyridin-3-yl-piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(3-pyridyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-pyridin-3-ylpiperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-(3-pyridyl)isonipecotamide Formula: C18H19ClFN3O3S MolecularWeight: 411.878163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN=CC=C2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C18H19ClFN3O3S/c19-16-4-1-5-17(20)15(16)12-27(25,26)23-9-6-13(7-10-23)18(24)22-14-3-2-8-21-11-14/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,24)