N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OCC)NC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H28N2O6S/c1-4-24(5-2)31(26,27)17-9-11-19(28-6-3)18(15-17)23-22(25)16-8-10-20-21(14-16)30-13-7-12-29-20/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,23,25)