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

Systemtic Name: ethyl (3S)-1-[6-methyl-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-methyl-3-(p-tolylsulfonyl)-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-methyl-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-methyl-3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(6-methyl-3-tosyl-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=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=C(C=C4)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

InChI

InChI=1S/C25H28N2O4S/c1-4-31-25(28)19-6-5-13-27(16-19)24-21-14-18(3)9-12-22(21)26-15-23(24)32(29,30)20-10-7-17(2)8-11-20/h7-12,14-15,19H,4-6,13,16H2,1-3H3/t19-/m0/s1