(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C23H23ClN4O3S MolecularWeight: 470.97172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N)Cl

InChI

InChI=1S/C23H23ClN4O3S/c1-32-18-4-2-15-10-17(21(24)27-19(15)11-18)13-31-23(30)14-6-8-28(9-7-14)20-5-3-16(12-26-20)22(25)29/h2-5,10-12,14H,6-9,13H2,1H3,(H2,25,29)