N-(4-fluoranyl-3-nitro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-1-mesyl-isonipecotamide Formula: C13H16FN3O5S MolecularWeight: 345.346643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16FN3O5S/c1-23(21,22)16-6-4-9(5-7-16)13(18)15-10-2-3-11(14)12(8-10)17(19)20/h2-3,8-9H,4-7H2,1H3,(H,15,18)