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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-sulfamoylbenzyl)acetamide Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)OC1

InChI

InChI=1S/C18H20N2O5S2/c19-27(22,23)15-5-2-13(3-6-15)11-20-18(21)12-26-14-4-7-16-17(10-14)25-9-1-8-24-16/h2-7,10H,1,8-9,11-12H2,(H,20,21)(H2,19,22,23)