[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoate CAS Name: 4-chloro-3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(2,6-dimethylmorpholino)sulfonyl-benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C23H26ClNO7S MolecularWeight: 495.97304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CC(OC(C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CC(OC(C3)C)C

InChI

InChI=1S/C23H26ClNO7S/c1-4-30-19-8-5-17(6-9-19)21(26)14-31-23(27)18-7-10-20(24)22(11-18)33(28,29)25-12-15(2)32-16(3)13-25/h5-11,15-16H,4,12-14H2,1-3H3