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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)C)OC

InChI

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