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

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C21H24FN3O5S MolecularWeight: 449.495763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O5S/c1-14-3-5-18(25(27)28)12-20(14)31(29,30)24-9-7-17(8-10-24)21(26)23-13-16-4-6-19(22)15(2)11-16/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,23,26)