[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C#N

InChI

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