6-bromanyl-7-chloranyl-N-[[3-oxidanyl-1-(4-sulfamoylbutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide

Systemtic Name: 6-bromanyl-7-chloranyl-N-[[3-oxidanyl-1-(4-sulfamoylbutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Openeye Name: 6-bromo-7-chloro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide CAS Name: 6-bromo-7-chloro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)-4-piperidinyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide IUPAC Name: 6-bromo-7-chloro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide Traditional Name: 6-bromo-7-chloro-N-[[3-hydroxy-1-(4-sulfamoylbutyl)-4-piperidyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-9-carboxamide Formula: C20H29BrClN3O6S MolecularWeight: 554.88276

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=C(C=C2C(=O)NCC3CCN(CC3O)CCCCS(=O)(=O)N)Cl)Br)OC1

Isomeric SMILES

C1COC2=C(C(=C(C=C2C(=O)NCC3CCN(CC3O)CCCCS(=O)(=O)N)Cl)Br)OC1

InChI

InChI=1S/C20H29BrClN3O6S/c21-17-15(22)10-14(18-19(17)31-8-3-7-30-18)20(27)24-11-13-4-6-25(12-16(13)26)5-1-2-9-32(23,28)29/h10,13,16,26H,1-9,11-12H2,(H,24,27)(H2,23,28,29)