[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

InChI

InChI=1S/C21H32N2O5S/c1-20(2,3)14-21(4,5)22-18(24)13-28-19(25)16-9-10-17-15(12-16)8-7-11-23(17)29(6,26)27/h9-10,12H,7-8,11,13-14H2,1-6H3,(H,22,24)