[2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-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-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

InChI

InChI=1S/C21H32N2O5S/c1-4-6-8-16(5-2)14-22-20(24)15-28-21(25)18-10-11-19-17(13-18)9-7-12-23(19)29(3,26)27/h10-11,13,16H,4-9,12,14-15H2,1-3H3,(H,22,24)/t16-/m0/s1