3-[2-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-(isopropylsulfamoyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-(propan-2-ylsulfamoyl)phenyl]thio]propanoic acid IUPAC Name: 3-[2-(propan-2-ylsulfamoyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-(isopropylsulfamoyl)phenyl]thio]propionic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC=C1SCCC(=O)O

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC=C1SCCC(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-9(2)13-19(16,17)11-6-4-3-5-10(11)18-8-7-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)