ethyl 1-[3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(p-tolylsulfonyl)-4-quinolyl]piperidine-3-carboxylate CAS Name: 1-[3-(4-methylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: 1-(3-tosyl-4-quinolyl)nipecotic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H26N2O4S/c1-3-30-24(27)18-7-6-14-26(16-18)23-20-8-4-5-9-21(20)25-15-22(23)31(28,29)19-12-10-17(2)11-13-19/h4-5,8-13,15,18H,3,6-7,14,16H2,1-2H3