N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C18H19F2N3O3S2 MolecularWeight: 427.488566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SC(F)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SC(F)F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19F2N3O3S2/c19-18(20)27-15-5-3-14(4-6-15)22-17(24)13-7-10-23(11-8-13)28(25,26)16-2-1-9-21-12-16/h1-6,9,12-13,18H,7-8,10-11H2,(H,22,24)