[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C21H19NO7S MolecularWeight: 429.44306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)COC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(O2)COC3=CC=CC=C3

InChI

InChI=1S/C21H19NO7S/c1-30(25,26)18-10-7-15(8-11-18)22-20(23)14-28-21(24)19-12-9-17(29-19)13-27-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,22,23)