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

Systemtic Name: [2-[(2-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O7S MolecularWeight: 486.898403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H20ClFN2O7S/c1-29-17-5-2-13(10-18(17)32(27,28)24-6-8-30-9-7-24)20(26)31-12-19(25)23-16-4-3-14(22)11-15(16)21/h2-5,10-11H,6-9,12H2,1H3,(H,23,25)