3-[[3-(2-propanoylphenyl)-1,2-oxaziridin-2-yl]sulfonyl]benzenesulfonic acid

Systemtic Name: 3-[[3-(2-propanoylphenyl)-1,2-oxaziridin-2-yl]sulfonyl]benzenesulfonic acid Openeye Name: 3-[3-(2-propanoylphenyl)oxaziridin-2-yl]sulfonylbenzenesulfonic acid CAS Name: 3-[[3-[2-(1-oxopropyl)phenyl]-2-oxaziridinyl]sulfonyl]benzenesulfonic acid IUPAC Name: 3-[3-(2-propanoylphenyl)oxaziridin-2-yl]sulfonylbenzenesulfonic acid Traditional Name: 3-[3-(2-propionylphenyl)oxaziridin-2-yl]sulfonylbesylic acid Formula: C16H15NO7S2 MolecularWeight: 397.4228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1C2N(O2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCC(=O)C1=CC=CC=C1C2N(O2)S(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H15NO7S2/c1-2-15(18)13-8-3-4-9-14(13)16-17(24-16)25(19,20)11-6-5-7-12(10-11)26(21,22)23/h3-10,16H,2H2,1H3,(H,21,22,23)