1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]-N-phenyl-nipecotamide Formula: C21H20F3N3O4S MolecularWeight: 467.46141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H20F3N3O4S/c22-21(23,24)15-8-9-18(17(11-15)27(30)31)32-13-19(28)26-10-4-5-14(12-26)20(29)25-16-6-2-1-3-7-16/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,25,29)