[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)COC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H28N2O5S/c1-14-6-4-7-15(2)22(14)19(23)13-27-20(24)17-9-10-18-16(12-17)8-5-11-21(18)28(3,25)26/h9-10,12,14-15H,4-8,11,13H2,1-3H3/t14-,15-/m1/s1