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

Systemtic Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxyquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-methoxy-4-quinolyl]nipecotic acid ethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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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)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC(=C(C=C4)C)C)OC

InChI

InChI=1S/C26H30N2O5S/c1-5-33-26(29)19-7-6-12-28(16-19)25-22-14-20(32-4)9-11-23(22)27-15-24(25)34(30,31)21-10-8-17(2)18(3)13-21/h8-11,13-15,19H,5-7,12,16H2,1-4H3/t19-/m0/s1