4-(3-ethanoylsulfanylpropanoylamino)benzenesulfonic acid

Systemtic Name: 4-(3-ethanoylsulfanylpropanoylamino)benzenesulfonic acid Openeye Name: 4-(3-acetylsulfanylpropanoylamino)benzenesulfonic acid CAS Name: 4-[[3-(acetylthio)-1-oxopropyl]amino]benzenesulfonic acid IUPAC Name: 4-(3-acetylsulfanylpropanoylamino)benzenesulfonic acid Traditional Name: 4-[3-(acetylthio)propanoylamino]besylic acid Formula: C11H13NO5S2 MolecularWeight: 303.35462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S2/c1-8(13)18-7-6-11(14)12-9-2-4-10(5-3-9)19(15,16)17/h2-5H,6-7H2,1H3,(H,12,14)(H,15,16,17)