1-ethanoyl-2-[(2S)-3-[ethyl(sulfonato)azaniumyl]-2-oxidanyl-propoxy]benzene

Systemtic Name: 1-ethanoyl-2-[(2S)-3-[ethyl(sulfonato)azaniumyl]-2-oxidanyl-propoxy]benzene Openeye Name: 1-acetyl-2-[(2S)-3-[ethyl(sulfonato)ammonio]-2-hydroxy-propoxy]benzene CAS Name: 1-acetyl-2-[(2S)-3-[ethyl(sulfonato)ammonio]-2-hydroxypropoxy]benzene IUPAC Name: 1-acetyl-2-[(2S)-3-[ethyl(sulfonato)azaniumyl]-2-hydroxypropoxy]benzene Traditional Name: 1-acetyl-2-[(2S)-3-[ethyl(sulfonato)ammonio]-2-hydroxy-propoxy]benzene Formula: C13H19NO6S MolecularWeight: 317.35806

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(COC1=CC=CC=C1C(=O)C)O)S(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](C[C@@H](COC1=CC=CC=C1C(=O)C)O)S(=O)(=O)[O-]

InChI

InChI=1S/C13H19NO6S/c1-3-14(21(17,18)19)8-11(16)9-20-13-7-5-4-6-12(13)10(2)15/h4-7,11,16H,3,8-9H2,1-2H3,(H,17,18,19)/t11-/m0/s1