[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C20H23NO7S/c1-4-27-12-15-10-14(8-9-18(15)26-2)20(23)28-13-19(22)21-16-6-5-7-17(11-16)29(3,24)25/h5-11H,4,12-13H2,1-3H3,(H,21,22)