[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H22N2O7S2 MolecularWeight: 490.54928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H22N2O7S2/c1-29-18-10-9-15(12-19(18)30-2)13-23-20(25)14-31-22(26)16-6-3-4-7-17(16)24-33(27,28)21-8-5-11-32-21/h3-12,24H,13-14H2,1-2H3,(H,23,25)