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

Systemtic Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methyl-quinolin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methyl-4-quinolyl]piperidine-4-carboxylate CAS Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methyl-4-quinolinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methylquinolin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-methyl-4-quinolyl]isonipecotic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC(=C(C=C4)C)C)C

InChI

InChI=1S/C26H30N2O4S/c1-5-32-26(29)20-10-12-28(13-11-20)25-22-14-17(2)6-9-23(22)27-16-24(25)33(30,31)21-8-7-18(3)19(4)15-21/h6-9,14-16,20H,5,10-13H2,1-4H3