[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-fluorophenyl)methylthio]acetic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-fluorobenzyl)thio]acetic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C18H18FNO5S2 MolecularWeight: 411.467623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CSCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO5S2/c1-27(23,24)16-8-6-15(7-9-16)20-17(21)10-25-18(22)12-26-11-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,21)