N-[2-[bis(fluoranyl)methoxy]-5-nitro-phenyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[bis(fluoranyl)methoxy]-5-nitro-phenyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(difluoromethoxy)-5-nitro-phenyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(difluoromethoxy)-5-nitrophenyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(difluoromethoxy)-5-nitrophenyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(difluoromethoxy)-5-nitro-phenyl]-1-propylsulfonyl-nipecotamide Formula: C16H21F2N3O6S MolecularWeight: 421.416246

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C16H21F2N3O6S/c1-2-8-28(25,26)20-7-3-4-11(10-20)15(22)19-13-9-12(21(23)24)5-6-14(13)27-16(17)18/h5-6,9,11,16H,2-4,7-8,10H2,1H3,(H,19,22)