sodium 2-[2-nitro-4-[2-(phenylsulfonylamino)ethyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[2-nitro-4-[2-(phenylsulfonylamino)ethyl]phenoxy]ethanoate Openeye Name: sodium 2-[4-[2-(benzenesulfonamido)ethyl]-2-nitro-phenoxy]acetate CAS Name: sodium 2-[4-[2-(benzenesulfonamido)ethyl]-2-nitrophenoxy]acetate IUPAC Name: sodium 2-[4-[2-(benzenesulfonamido)ethyl]-2-nitrophenoxy]acetate Traditional Name: sodium 2-[4-[2-(benzenesulfonamido)ethyl]-2-nitro-phenoxy]acetate Formula: C16H15N2NaO7S MolecularWeight: 402.35427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2)OCC(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC(=C(C=C2)OCC(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C16H16N2O7S.Na/c19-16(20)11-25-15-7-6-12(10-14(15)18(21)22)8-9-17-26(23,24)13-4-2-1-3-5-13;/h1-7,10,17H,8-9,11H2,(H,19,20);/q;+1/p-1