[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H16N2O5S/c1-26(23,24)16-9-7-14(8-10-16)18(22)25-13-17(21)20(12-11-19)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3