[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C25H23N3O9S4 MolecularWeight: 637.72482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H23N3O9S4/c1-35-20-8-7-17(14-21(20)36-2)26-22(29)15-37-25(30)16-11-18(27-40(31,32)23-5-3-9-38-23)13-19(12-16)28-41(33,34)24-6-4-10-39-24/h3-14,27-28H,15H2,1-2H3,(H,26,29)