1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoro-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-fluoro-3-nitro-phenyl)isonipecotamide Formula: C21H22FN3O7S MolecularWeight: 479.478683

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-])OC1

InChI

InChI=1S/C21H22FN3O7S/c22-17-4-2-15(12-18(17)25(27)28)23-21(26)14-6-8-24(9-7-14)33(29,30)16-3-5-19-20(13-16)32-11-1-10-31-19/h2-5,12-14H,1,6-11H2,(H,23,26)