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

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C21H21Cl2NO6S MolecularWeight: 486.36554

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H21Cl2NO6S/c1-2-14-3-5-15(6-4-14)19(25)13-30-21(26)16-11-20(18(23)12-17(16)22)31(27,28)24-7-9-29-10-8-24/h3-6,11-12H,2,7-10,13H2,1H3