2-(2-fluoranylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: 2-(2-fluoranylphenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: 2-(2-fluorophenoxy)ethyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid 2-(2-fluorophenoxy)ethyl ester IUPAC Name: 2-(2-fluorophenoxy)ethyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid 2-(2-fluorophenoxy)ethyl ester Formula: C17H17FN2O7S2 MolecularWeight: 444.454483

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCCOC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN2O7S2/c1-28-16-7-6-12(10-14(16)20(22)23)29(24,25)19-11-17(21)27-9-8-26-15-5-3-2-4-13(15)18/h2-7,10,19H,8-9,11H2,1H3