[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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=CN=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O5S/c20-18-9-6-15(12-21-18)19(24)27-13-17(23)14-4-7-16(8-5-14)28(25,26)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2