[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClNO7S MolecularWeight: 441.8826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=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)9-19(23)28-11-18(22)21-15-10-13(29(3,24)25)5-6-14(15)20/h4-8,10H,9,11H2,1-3H3,(H,21,22)