ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-4-quinolyl]nipecotic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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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)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C25H28N2O4S/c1-4-31-25(28)19-8-7-13-27(16-19)24-21-9-5-6-10-22(21)26-15-23(24)32(29,30)20-12-11-17(2)18(3)14-20/h5-6,9-12,14-15,19H,4,7-8,13,16H2,1-3H3/t19-/m0/s1