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

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-(4-chloro-3-morpholinosulfonyl-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=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

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

InChI

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