[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO7S/c1-24-14-8-13(9-15(10-14)25-2)19-17(20)11-26-18(21)12-4-6-16(7-5-12)27(3,22)23/h4-10H,11H2,1-3H3,(H,19,20)