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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)OC(F)(F)F

InChI

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