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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC(=C(C=C4)C)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)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)20-7-6-12-28(16-20)25-22-13-17(2)8-11-23(22)27-15-24(25)33(30,31)21-10-9-18(3)19(4)14-21/h8-11,13-15,20H,5-7,12,16H2,1-4H3/t20-/m0/s1