2-[2-fluoranyl-4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-fluoro-4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-fluoro-4-[2-[(4-nitrophenyl)sulfonylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-fluoro-4-[2-[(4-nitrophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-fluoro-4-[2-(nosylamino)ethylthio]phenoxy]acetic acid Formula: C16H15FN2O7S2 MolecularWeight: 430.427903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCSC2=CC(=C(C=C2)OCC(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCSC2=CC(=C(C=C2)OCC(=O)O)F

InChI

InChI=1S/C16H15FN2O7S2/c17-14-9-12(3-6-15(14)26-10-16(20)21)27-8-7-18-28(24,25)13-4-1-11(2-5-13)19(22)23/h1-6,9,18H,7-8,10H2,(H,20,21)