5-(heptan-2-ylsulfamoyl)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(heptan-2-ylsulfamoyl)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-(1-methylhexylsulfamoyl)thiophene-2-carboxylic acid CAS Name: 5-(heptan-2-ylsulfamoyl)-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-(heptan-2-ylsulfamoyl)-3-methylthiophene-2-carboxylic acid Traditional Name: 3-methyl-5-(1-methylhexylsulfamoyl)-2-thenoic acid Formula: C13H21NO4S2 MolecularWeight: 319.44014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NS(=O)(=O)C1=CC(=C(S1)C(=O)O)C

Isomeric SMILES

CCCCCC(C)NS(=O)(=O)C1=CC(=C(S1)C(=O)O)C

InChI

InChI=1S/C13H21NO4S2/c1-4-5-6-7-10(3)14-20(17,18)11-8-9(2)12(19-11)13(15)16/h8,10,14H,4-7H2,1-3H3,(H,15,16)