[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C20H19Cl2NO7S MolecularWeight: 488.33836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2NO7S/c1-28-18-5-2-13(10-19(18)31(26,27)23-6-8-29-9-7-23)20(25)30-12-17(24)15-11-14(21)3-4-16(15)22/h2-5,10-11H,6-9,12H2,1H3