9-methyl-N-[[3-oxidanyl-1-[4-(4-sulfamoylphenoxy)butyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Systemtic Name: 9-methyl-N-[[3-oxidanyl-1-[4-(4-sulfamoylphenoxy)butyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Openeye Name: N-[[3-hydroxy-1-[4-(4-sulfamoylphenoxy)butyl]-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide CAS Name: N-[[3-hydroxy-1-[4-(4-sulfamoylphenoxy)butyl]-4-piperidinyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide IUPAC Name: N-[[3-hydroxy-1-[4-(4-sulfamoylphenoxy)butyl]piperidin-4-yl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide Traditional Name: N-[[3-hydroxy-1-[4-(4-sulfamoylphenoxy)butyl]-4-piperidyl]methyl]-9-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxamide Formula: C27H37N3O7S MolecularWeight: 547.66358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCCOC4=CC=C(C=C4)S(=O)(=O)N)OCCCO2

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)NCC3CCN(CC3O)CCCCOC4=CC=C(C=C4)S(=O)(=O)N)OCCCO2

InChI

InChI=1S/C27H37N3O7S/c1-19-5-10-23(26-25(19)36-15-4-16-37-26)27(32)29-17-20-11-13-30(18-24(20)31)12-2-3-14-35-21-6-8-22(9-7-21)38(28,33)34/h5-10,20,24,31H,2-4,11-18H2,1H3,(H,29,32)(H2,28,33,34)