tert-butyl 3-fluoranyl-4-nitro-5-[1-(phenylsulfonyl)ethyl]benzoate

Systemtic Name: tert-butyl 3-fluoranyl-4-nitro-5-[1-(phenylsulfonyl)ethyl]benzoate Openeye Name: tert-butyl 3-[1-(benzenesulfonyl)ethyl]-5-fluoro-4-nitro-benzoate CAS Name: 3-[1-(benzenesulfonyl)ethyl]-5-fluoro-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(benzenesulfonyl)ethyl]-5-fluoro-4-nitrobenzoate Traditional Name: 3-(1-besylethyl)-5-fluoro-4-nitro-benzoic acid tert-butyl ester Formula: C19H20FNO6S MolecularWeight: 409.428603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FNO6S/c1-12(28(25,26)14-8-6-5-7-9-14)15-10-13(18(22)27-19(2,3)4)11-16(20)17(15)21(23)24/h5-12H,1-4H3