1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-1-indan-5-ylsulfonyl-piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-1-indan-5-ylsulfonyl-isonipecotamide Formula: C21H22FN3O5S MolecularWeight: 447.479883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5S/c22-19-7-5-17(13-20(19)25(27)28)23-21(26)15-8-10-24(11-9-15)31(29,30)18-6-4-14-2-1-3-16(14)12-18/h4-7,12-13,15H,1-3,8-11H2,(H,23,26)