5-bromanyl-4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-bromanyl-4-[(2-oxidanylideneazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid Openeye Name: 5-bromo-4-[(2-oxoazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid CAS Name: 5-bromo-4-[(2-oxo-3-azepanyl)sulfamoyl]-2-thiophenecarboxylic acid IUPAC Name: 5-bromo-4-[(2-oxoazepan-3-yl)sulfamoyl]thiophene-2-carboxylic acid Traditional Name: 5-bromo-4-[(2-ketoazepan-3-yl)sulfamoyl]-2-thenoic acid Formula: C11H13BrN2O5S2 MolecularWeight: 397.26532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NS(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

Isomeric SMILES

C1CCNC(=O)C(C1)NS(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

InChI

InChI=1S/C11H13BrN2O5S2/c12-9-8(5-7(20-9)11(16)17)21(18,19)14-6-3-1-2-4-13-10(6)15/h5-6,14H,1-4H2,(H,13,15)(H,16,17)