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

Systemtic Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-quinolin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolyl]piperidine-3-carboxylate CAS Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethylquinolin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-quinolyl]nipecotic acid ethyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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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)C)N4CCCC(C4)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O4S/c1-5-20-10-12-24-23(15-20)26(29-13-7-8-21(17-29)27(30)33-6-2)25(16-28-24)34(31,32)22-11-9-18(3)19(4)14-22/h9-12,14-16,21H,5-8,13,17H2,1-4H3