methyl 4-fluoranyl-3-[[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-fluoro-3-[[2-(4-methylsulfonylanilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-fluoro-3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 4-fluoro-3-[[2-keto-2-(4-mesylanilino)ethyl]amino]benzoic acid methyl ester Formula: C17H17FN2O5S MolecularWeight: 380.390683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)F)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)F)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H17FN2O5S/c1-25-17(22)11-3-8-14(18)15(9-11)19-10-16(21)20-12-4-6-13(7-5-12)26(2,23)24/h3-9,19H,10H2,1-2H3,(H,20,21)