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

Systemtic Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(diethylsulfamoyl)-4-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=C(C=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)OCC

Isomeric SMILES

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

InChI

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