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

Systemtic Name: ethyl (3S)-1-[6-ethyl-3-(4-methylphenyl)sulfonyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[6-ethyl-3-(p-tolylsulfonyl)-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[6-ethyl-3-(4-methylphenyl)sulfonyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[6-ethyl-3-(4-methylphenyl)sulfonylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-(6-ethyl-3-tosyl-4-quinolyl)nipecotic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CCC[C@@H](C4)C(=O)OCC

InChI

InChI=1S/C26H30N2O4S/c1-4-19-10-13-23-22(15-19)25(28-14-6-7-20(17-28)26(29)32-5-2)24(16-27-23)33(30,31)21-11-8-18(3)9-12-21/h8-13,15-16,20H,4-7,14,17H2,1-3H3/t20-/m0/s1