[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [5,7-bis(chloranyl)-2-methyl-quinolin-8-yl] 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (5,7-dichloro-2-methyl-8-quinolyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (5,7-dichloro-2-methyl-8-quinolinyl) ester IUPAC Name: (5,7-dichloro-2-methylquinolin-8-yl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (5,7-dichloro-2-methyl-8-quinolyl) ester Formula: C18H20Cl2N2O4S MolecularWeight: 431.3334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=C(C=C(C3=C2N=C(C=C3)C)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2O4S/c1-3-27(24,25)22-8-6-12(7-9-22)18(23)26-17-15(20)10-14(19)13-5-4-11(2)21-16(13)17/h4-5,10,12H,3,6-9H2,1-2H3