[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C24H22BrNO8S MolecularWeight: 564.40238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C24H22BrNO8S/c1-31-21-12-16(13-22(32-2)23(21)33-3)20(27)14-34-24(28)15-4-8-18(9-5-15)26-35(29,30)19-10-6-17(25)7-11-19/h4-13,26H,14H2,1-3H3