N-[1-(4-methylsulfonylphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(4-methylsulfonylphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H24F3N3O5S MolecularWeight: 499.50327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24F3N3O5S/c1-14(15-3-6-18(7-4-15)34(2,32)33)26-21(29)16-9-11-27(12-10-16)19-8-5-17(22(23,24)25)13-20(19)28(30)31/h3-8,13-14,16H,9-12H2,1-2H3,(H,26,29)