N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-methyl-N-[[4-(methylthio)phenyl]methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H24F3N3O3S MolecularWeight: 467.50447

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H24F3N3O3S/c1-26(14-15-3-6-18(32-2)7-4-15)21(29)16-9-11-27(12-10-16)19-8-5-17(22(23,24)25)13-20(19)28(30)31/h3-8,13,16H,9-12,14H2,1-2H3