2-(2-fluorophenyl)sulfanylethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C16H14FNO6S2 MolecularWeight: 399.413863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCCSC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FNO6S2/c1-26(22,23)15-7-6-11(10-13(15)18(20)21)16(19)24-8-9-25-14-5-3-2-4-12(14)17/h2-7,10H,8-9H2,1H3