2-methyl-2-(2-propan-2-ylsulfonylethyl)-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid

Systemtic Name: 2-methyl-2-(2-propan-2-ylsulfonylethyl)-1,2-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid Openeye Name: 2-(2-isopropylsulfonylethyl)-2-methyl-oxaziridin-2-ium-3-one; 3-phenylpropanoic acid CAS Name: 2-methyl-2-(2-propan-2-ylsulfonylethyl)-3-oxaziridin-2-iumone; 3-phenylpropanoic acid IUPAC Name: 2-methyl-2-(2-propan-2-ylsulfonylethyl)oxaziridin-2-ium-3-one; 3-phenylpropanoic acid Traditional Name: hydrocinnamic acid; 2-(2-isopropylsulfonylethyl)-2-methyl-oxaziridin-2-ium-3-one Formula: C16H24NO6S+ MolecularWeight: 358.42986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)CC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)CC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)O

InChI

InChI=1S/C9H10O2.C7H14NO4S/c10-9(11)7-6-8-4-2-1-3-5-8;1-6(2)13(10,11)5-4-8(3)7(9)12-8/h1-5H,6-7H2,(H,10,11);6H,4-5H2,1-3H3/q;+1