(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C18H21ClN2O5S MolecularWeight: 412.88774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3CCN(CC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H21ClN2O5S/c1-25-15-4-3-13-9-14(17(19)20-16(13)10-15)11-26-18(22)12-5-7-21(8-6-12)27(2,23)24/h3-4,9-10,12H,5-8,11H2,1-2H3