[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H19BrN2O7S2 MolecularWeight: 555.41876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H19BrN2O7S2/c1-29-15-7-8-17(30-2)16(11-15)23-19(25)12-31-21(26)13-3-5-14(6-4-13)24-33(27,28)20-10-9-18(22)32-20/h3-11,24H,12H2,1-2H3,(H,23,25)