[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H19FN2O5S2 MolecularWeight: 474.525063

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN2O5S2/c1-31-17-6-4-5-16(13-17)24-21(26)14-30-22(27)19-7-2-3-8-20(19)25-32(28,29)18-11-9-15(23)10-12-18/h2-13,25H,14H2,1H3,(H,24,26)