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

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C20H19Cl2NO6S MolecularWeight: 472.33896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H19Cl2NO6S/c1-13-2-3-14(10-19(13)30(26,27)23-6-8-28-9-7-23)20(25)29-12-18(24)16-11-15(21)4-5-17(16)22/h2-5,10-11H,6-9,12H2,1H3