4-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethoxy]benzoic acid

Systemtic Name: 4-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethoxy]benzoic acid Openeye Name: 4-[2-(3-amino-3-oxo-propyl)sulfonylethoxy]benzoic acid CAS Name: 4-[2-(3-amino-3-oxopropyl)sulfonylethoxy]benzoic acid IUPAC Name: 4-[2-(3-amino-3-oxopropyl)sulfonylethoxy]benzoic acid Traditional Name: 4-[2-(3-amino-3-keto-propyl)sulfonylethoxy]benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C12H15NO6S/c13-11(14)5-7-20(17,18)8-6-19-10-3-1-9(2-4-10)12(15)16/h1-4H,5-8H2,(H2,13,14)(H,15,16)