5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[[4-[butyl(methyl)sulfamoyl]phenyl]sulfamoyl]-3-thenoic acid Formula: C16H20N2O6S3 MolecularWeight: 432.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CS2)C(=O)O

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=CS2)C(=O)O

InChI

InChI=1S/C16H20N2O6S3/c1-3-4-9-18(2)27(23,24)14-7-5-13(6-8-14)17-26(21,22)15-10-12(11-25-15)16(19)20/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,19,20)