[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H14N2O5S/c1-25(22,23)15-7-3-6-14(9-15)19-16(20)11-24-17(21)13-5-2-4-12(8-13)10-18/h2-9H,11H2,1H3,(H,19,20)