N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[[2-(isopropylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(isopropylsulfamoylmethyl)benzyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)NS(=O)(=O)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H26N2O5S/c1-15(2)23-29(25,26)14-18-7-4-3-6-17(18)13-22-21(24)16-8-9-19-20(12-16)28-11-5-10-27-19/h3-4,6-9,12,15,23H,5,10-11,13-14H2,1-2H3,(H,22,24)