[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 3-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 3-(2,6-dimethylmorpholino)sulfonylbenzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C21H22BrNO6S MolecularWeight: 496.37148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO6S/c1-14-11-23(12-15(2)29-14)30(26,27)19-5-3-4-17(10-19)21(25)28-13-20(24)16-6-8-18(22)9-7-16/h3-10,14-15H,11-13H2,1-2H3