methyl 4,5-dimethoxy-2-[[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(4-methylsulfonylanilino)-2-oxo-ethyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 2-[[2-keto-2-(4-mesylanilino)ethyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7S/c1-26-16-9-14(19(23)28-3)15(10-17(16)27-2)20-11-18(22)21-12-5-7-13(8-6-12)29(4,24)25/h5-10,20H,11H2,1-4H3,(H,21,22)