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

Systemtic Name: N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[5-(diethylsulfamoyl)-2-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H28N2O7S2 MolecularWeight: 484.58622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O7S2/c1-4-23(5-2)32(26,27)17-9-10-19(28-6-3)18(14-17)22-31(24,25)16-8-11-20-21(15-16)30-13-7-12-29-20/h8-11,14-15,22H,4-7,12-13H2,1-3H3