[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(2-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-[(2-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C20H21N3O7S MolecularWeight: 447.46164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2C#N)OC

InChI

InChI=1S/C20H21N3O7S/c1-28-16-8-7-14(9-17(16)29-2)11-22-19(24)13-30-20(25)12-23-31(26,27)18-6-4-3-5-15(18)10-21/h3-9,23H,11-13H2,1-2H3,(H,22,24)