N-(5-nitro-1,2-benzothiazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: N-(5-nitro-1,2-benzothiazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(5-nitro-1,2-benzothiazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: N-(5-nitro-1,2-benzothiazol-3-yl)-1-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(5-nitro-1,2-benzothiazol-3-yl)-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-(5-nitro-1,2-benzothiazol-3-yl)-1-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NSC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NSC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c21-20(22,23)13-2-1-3-14(10-13)26-8-6-12(7-9-26)19(28)24-18-16-11-15(27(29)30)4-5-17(16)31-25-18/h1-5,10-12H,6-9H2,(H,24,25,28)