[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O5S/c1-2-27(24,25)17-11-7-6-10-16(17)19(23)26-14-18(22)21(13-12-20)15-8-4-3-5-9-15/h3-11H,2,13-14H2,1H3