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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-3-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-3-nitro-phenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H20F3N3O5S MolecularWeight: 471.45011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3N3O5S/c1-13-17(6-3-7-18(13)26(28)29)24-19(27)14-8-10-25(11-9-14)32(30,31)16-5-2-4-15(12-16)20(21,22)23/h2-7,12,14H,8-11H2,1H3,(H,24,27)