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

Systemtic Name: N-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(dimethylsulfamoyl)-4-ethoxy-phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C19H24N2O7S2 MolecularWeight: 456.53306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H24N2O7S2/c1-4-26-17-8-6-14(12-19(17)30(24,25)21(2)3)20-29(22,23)15-7-9-16-18(13-15)28-11-5-10-27-16/h6-9,12-13,20H,4-5,10-11H2,1-3H3