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

Systemtic Name: 3-[2-(3-azanyl-3-oxidanylidene-propyl)sulfonylethoxy]benzoic acid Openeye Name: 3-[2-(3-amino-3-oxo-propyl)sulfonylethoxy]benzoic acid CAS Name: 3-[2-(3-amino-3-oxopropyl)sulfonylethoxy]benzoic acid IUPAC Name: 3-[2-(3-amino-3-oxopropyl)sulfonylethoxy]benzoic acid Traditional Name: 3-[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(=C1)OCCS(=O)(=O)CCC(=O)N)C(=O)O

Isomeric SMILES

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

InChI

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