4-methylbenzenesulfonate; [(2S)-1-oxidanylidene-1-[2-(phenylsulfonyl)ethoxy]propan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-1-oxidanylidene-1-[2-(phenylsulfonyl)ethoxy]propan-2-yl]azanium Openeye Name: [(1S)-2-[2-(benzenesulfonyl)ethoxy]-1-methyl-2-oxo-ethyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(2S)-1-[2-(benzenesulfonyl)ethoxy]-1-oxopropan-2-yl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(2S)-1-[2-(benzenesulfonyl)ethoxy]-1-oxopropan-2-yl]azanium; 4-methylbenzenesulfonate Traditional Name: [(1S)-2-(2-besylethoxy)-2-keto-1-methyl-ethyl]ammonium tosylate Formula: C18H23NO7S2 MolecularWeight: 429.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C(=O)OCCS(=O)(=O)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[C@@H](C(=O)OCCS(=O)(=O)C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C11H15NO4S.C7H8O3S/c1-9(12)11(13)16-7-8-17(14,15)10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9H,7-8,12H2,1H3;2-5H,1H3,(H,8,9,10)/t9-;/m0./s1