[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C19H20ClNO7S MolecularWeight: 441.8826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C19H20ClNO7S/c1-26-16-7-4-12(8-17(16)27-2)10-21-18(22)11-28-19(23)14-9-13(29(3,24)25)5-6-15(14)20/h4-9H,10-11H2,1-3H3,(H,21,22)