[2-[(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate

Systemtic Name: [2-[(4-methyl-2-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,6-bis(chloranyl)pyridine-4-carboxylate Openeye Name: [2-[4-methyl-2-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2,6-dichloropyridine-4-carboxylate CAS Name: 2,6-dichloro-4-pyridinecarboxylic acid [2-[4-methyl-2-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate Traditional Name: 2,6-dichloroisonicotinic acid [2-keto-2-(4-methyl-2-piperidinosulfonyl-anilino)ethyl] ester Formula: C20H21Cl2N3O5S MolecularWeight: 486.36884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=NC(=C2)Cl)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21Cl2N3O5S/c1-13-5-6-15(16(9-13)31(28,29)25-7-3-2-4-8-25)23-19(26)12-30-20(27)14-10-17(21)24-18(22)11-14/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,23,26)