1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(2-nitro-4-triflyl-phenyl)nipecotamide Formula: C13H14F3N3O5S MolecularWeight: 381.32757

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C13H14F3N3O5S/c14-13(15,16)25(23,24)9-3-4-10(11(6-9)19(21)22)18-5-1-2-8(7-18)12(17)20/h3-4,6,8H,1-2,5,7H2,(H2,17,20)