2-[2-nitro-4-[1-(phenylsulfonylamino)ethyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-nitro-4-[1-(phenylsulfonylamino)ethyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[1-(benzenesulfonamido)ethyl]-2-nitro-phenoxy]acetic acid CAS Name: 2-[4-[1-(benzenesulfonamido)ethyl]-2-nitrophenoxy]acetic acid IUPAC Name: 2-[4-[1-(benzenesulfonamido)ethyl]-2-nitrophenoxy]acetic acid Traditional Name: 2-[4-[1-(benzenesulfonamido)ethyl]-2-nitro-phenoxy]acetic acid Formula: C16H16N2O7S MolecularWeight: 380.37244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OCC(=O)O)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C1=CC(=C(C=C1)OCC(=O)O)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16N2O7S/c1-11(17-26(23,24)13-5-3-2-4-6-13)12-7-8-15(25-10-16(19)20)14(9-12)18(21)22/h2-9,11,17H,10H2,1H3,(H,19,20)