5-bromanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)thiophene-2-carboxylic acid CAS Name: 5-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)thiophene-2-carboxylic acid Traditional Name: 5-bromo-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfamoyl)-2-thenoic acid Formula: C14H12BrNO6S2 MolecularWeight: 434.28218

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(SC(=C3)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NS(=O)(=O)C3=C(SC(=C3)C(=O)O)Br)OC1

InChI

InChI=1S/C14H12BrNO6S2/c15-13-12(7-11(23-13)14(17)18)24(19,20)16-8-2-3-9-10(6-8)22-5-1-4-21-9/h2-3,6-7,16H,1,4-5H2,(H,17,18)