ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-quinolin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxyquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-quinolyl]isonipecotic acid ethyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C27H32N2O5S/c1-5-33-21-8-10-24-23(16-21)26(29-13-11-20(12-14-29)27(30)34-6-2)25(17-28-24)35(31,32)22-9-7-18(3)19(4)15-22/h7-10,15-17,20H,5-6,11-14H2,1-4H3