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

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[3-(trifluoromethyl)benzyl]isonipecotamide Formula: C21H22F3N3O5S MolecularWeight: 485.47669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O5S/c1-14-5-6-18(27(29)30)12-19(14)33(31,32)26-9-7-16(8-10-26)20(28)25-13-15-3-2-4-17(11-15)21(22,23)24/h2-6,11-12,16H,7-10,13H2,1H3,(H,25,28)