[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N2O5S/c22-14-16-5-4-6-18(13-16)21(25)28-15-20(24)17-7-9-19(10-8-17)29(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,15H2