8-fluoranyl-N-[[3-oxidanyl-1-(4-sulfamoylbutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 8-fluoranyl-N-[[3-oxidanyl-1-(4-sulfamoylbutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: 8-fluoro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: 8-fluoro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)-4-piperidinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: 8-fluoro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: 8-fluoro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C20H30FN3O6S MolecularWeight: 459.532103

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)F)C(=O)NCC3CCN(CC3O)CCCCS(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)F)C(=O)NCC3CCN(CC3O)CCCCS(=O)(=O)N)OC1

InChI

InChI=1S/C20H30FN3O6S/c21-15-10-16(19-18(11-15)29-7-3-8-30-19)20(26)23-12-14-4-6-24(13-17(14)25)5-1-2-9-31(22,27)28/h10-11,14,17,25H,1-9,12-13H2,(H,23,26)(H2,22,27,28)