ethyl 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-[(3,5-dimethyl-1-piperidyl)sulfonyl]-1-ethyl-4-oxo-quinoline-3-carboxylate CAS Name: 6-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-ethyl-4-oxoquinoline-3-carboxylate Traditional Name: 6-(3,5-dimethylpiperidino)sulfonyl-1-ethyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CC(CC(C3)C)C)C(=O)OCC

InChI

InChI=1S/C21H28N2O5S/c1-5-22-13-18(21(25)28-6-2)20(24)17-10-16(7-8-19(17)22)29(26,27)23-11-14(3)9-15(4)12-23/h7-8,10,13-15H,5-6,9,11-12H2,1-4H3