N-(1,3-benzothiazol-2-ylmethyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotamide Formula: C21H19F3N4O3S MolecularWeight: 464.46077

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=NC3=CC=CC=C3S2)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N4O3S/c22-21(23,24)14-5-6-16(17(11-14)28(30)31)27-9-7-13(8-10-27)20(29)25-12-19-26-15-3-1-2-4-18(15)32-19/h1-6,11,13H,7-10,12H2,(H,25,29)