1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[3-(trifluoromethyl)phenyl]isonipecotamide Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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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=CC(=C4)C(F)(F)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)OC1

InChI

InChI=1S/C22H23F3N2O5S/c23-22(24,25)16-3-1-4-17(13-16)26-21(28)15-7-9-27(10-8-15)33(29,30)18-5-6-19-20(14-18)32-12-2-11-31-19/h1,3-6,13-15H,2,7-12H2,(H,26,28)