(2-chloranylquinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-chloro-3-quinolyl)methyl ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-25(22,23)20-8-6-12(7-9-20)17(21)24-11-14-10-13-4-2-3-5-15(13)19-16(14)18/h2-5,10,12H,6-9,11H2,1H3