N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(4-sulfamoylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C17H20N2O6S2 MolecularWeight: 412.4805

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)OC1

InChI

InChI=1S/C17H20N2O6S2/c18-26(20,21)14-4-2-13(3-5-14)8-9-19-27(22,23)15-6-7-16-17(12-15)25-11-1-10-24-16/h2-7,12,19H,1,8-11H2,(H2,18,20,21)