3-(2-ethanoylsulfanylethanoylamino)benzenesulfonic acid

Systemtic Name: 3-(2-ethanoylsulfanylethanoylamino)benzenesulfonic acid Openeye Name: 3-[(2-acetylsulfanylacetyl)amino]benzenesulfonic acid CAS Name: 3-[[2-(acetylthio)-1-oxoethyl]amino]benzenesulfonic acid IUPAC Name: 3-[(2-acetylsulfanylacetyl)amino]benzenesulfonic acid Traditional Name: 3-[[2-(acetylthio)acetyl]amino]besylic acid Formula: C10H11NO5S2 MolecularWeight: 289.32804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)NC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)SCC(=O)NC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C10H11NO5S2/c1-7(12)17-6-10(13)11-8-3-2-4-9(5-8)18(14,15)16/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16)