2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c20-28(23,24)16-5-2-14(3-6-16)8-9-21-19(22)13-27-15-4-7-17-18(12-15)26-11-1-10-25-17/h2-7,12H,1,8-11,13H2,(H,21,22)(H2,20,23,24)