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

Systemtic Name: N-[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S2/c1-5-23(6-2)31(26,27)18-12-15(3)16(4)19(13-18)22-30(24,25)17-8-9-20-21(14-17)29-11-7-10-28-20/h8-9,12-14,22H,5-7,10-11H2,1-4H3