ethyl 1-[6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6,7-dimethoxy-3-(p-tolylsulfonyl)-4-quinolyl]piperidine-3-carboxylate CAS Name: 1-[6,7-dimethoxy-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6,7-dimethoxy-3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: 1-(6,7-dimethoxy-3-tosyl-4-quinolyl)nipecotic acid ethyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6S/c1-5-34-26(29)18-7-6-12-28(16-18)25-20-13-22(32-3)23(33-4)14-21(20)27-15-24(25)35(30,31)19-10-8-17(2)9-11-19/h8-11,13-15,18H,5-7,12,16H2,1-4H3