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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H23FN2O8S MolecularWeight: 482.479323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F)OC

InChI

InChI=1S/C21H23FN2O8S/c1-29-18-6-3-14(11-19(18)30-2)23-20(25)13-32-21(26)16-12-15(4-5-17(16)22)33(27,28)24-7-9-31-10-8-24/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,25)