N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[2,2-bis(fluoranyl)ethoxy]-5-nitro-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2,2-difluoroethoxy)-5-nitrophenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2,2-difluoroethoxy)-5-nitro-phenyl]-1-mesyl-isonipecotamide Formula: C15H19F2N3O6S MolecularWeight: 407.389666

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC(=C2)OCC(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H19F2N3O6S/c1-27(24,25)19-4-2-10(3-5-19)15(21)18-11-6-12(20(22)23)8-13(7-11)26-9-14(16)17/h6-8,10,14H,2-5,9H2,1H3,(H,18,21)