N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H20F3N3O6S MolecularWeight: 487.44951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O6S/c1-32-18-6-5-15(26(28)29)12-17(18)24-19(27)13-7-9-25(10-8-13)33(30,31)16-4-2-3-14(11-16)20(21,22)23/h2-6,11-13H,7-10H2,1H3,(H,24,27)