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

Systemtic Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-(2-nitro-4-triflyl-phenyl)-N-phenyl-isonipecotamide Formula: C19H18F3N3O5S MolecularWeight: 457.42353

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H18F3N3O5S/c20-19(21,22)31(29,30)15-6-7-16(17(12-15)25(27)28)24-10-8-13(9-11-24)18(26)23-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,23,26)