1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-thienylmethyl)piperidine-4-carboxamide CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(2-thenyl)isonipecotamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CS2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CS2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O3S/c19-18(20,21)13-3-4-15(16(10-13)24(26)27)23-7-5-12(6-8-23)17(25)22-11-14-2-1-9-28-14/h1-4,9-10,12H,5-8,11H2,(H,22,25)