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

Systemtic Name: 2-[2-fluoranyl-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[2-fluoro-4-[2-(p-tolylsulfonylamino)ethylsulfanyl]phenoxy]acetic acid CAS Name: 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylthio]phenoxy]acetic acid IUPAC Name: 2-[2-fluoro-4-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[2-fluoro-4-[2-(tosylamino)ethylthio]phenoxy]acetic acid Formula: C17H18FNO5S2 MolecularWeight: 399.456923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=C(C=C2)OCC(=O)O)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=C(C=C2)OCC(=O)O)F

InChI

InChI=1S/C17H18FNO5S2/c1-12-2-5-14(6-3-12)26(22,23)19-8-9-25-13-4-7-16(15(18)10-13)24-11-17(20)21/h2-7,10,19H,8-9,11H2,1H3,(H,20,21)