methyl 4-fluoranyl-3-[[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-fluoro-3-[[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4-fluoro-3-[[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 4-fluoro-3-[[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]amino]benzoic acid methyl ester Formula: C21H24FN3O6S MolecularWeight: 465.495163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=C(C=CC(=C3)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CNC3=C(C=CC(=C3)C(=O)OC)F

InChI

InChI=1S/C21H24FN3O6S/c1-14-3-5-16(32(28,29)25-7-9-31-10-8-25)12-18(14)24-20(26)13-23-19-11-15(21(27)30-2)4-6-17(19)22/h3-6,11-12,23H,7-10,13H2,1-2H3,(H,24,26)