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

Systemtic Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-quinolyl]piperidine-3-carboxylate CAS Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxyquinolin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-quinolyl]nipecotic acid ethyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CCC[C@@H](C4)C(=O)OCC

InChI

InChI=1S/C27H32N2O5S/c1-5-33-21-10-12-24-23(15-21)26(29-13-7-8-20(17-29)27(30)34-6-2)25(16-28-24)35(31,32)22-11-9-18(3)19(4)14-22/h9-12,14-16,20H,5-8,13,17H2,1-4H3/t20-/m0/s1