4-(2-ethanoylsulfanylpropanoylamino)benzenesulfonic acid

Systemtic Name: 4-(2-ethanoylsulfanylpropanoylamino)benzenesulfonic acid Openeye Name: 4-(2-acetylsulfanylpropanoylamino)benzenesulfonic acid CAS Name: 4-[[2-(acetylthio)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-(2-acetylsulfanylpropanoylamino)benzenesulfonic acid Traditional Name: 4-[2-(acetylthio)propanoylamino]besylic acid Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)SC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)O)SC(=O)C

InChI

InChI=1S/C11H13NO5S2/c1-7(18-8(2)13)11(14)12-9-3-5-10(6-4-9)19(15,16)17/h3-7H,1-2H3,(H,12,14)(H,15,16,17)