[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 4-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 4-(brosylamino)benzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C23H20BrNO7S MolecularWeight: 534.3764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C23H20BrNO7S/c1-30-18-9-12-20(22(13-18)31-2)21(26)14-32-23(27)15-3-7-17(8-4-15)25-33(28,29)19-10-5-16(24)6-11-19/h3-13,25H,14H2,1-2H3