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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-(hexylamino)-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-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

Isomeric SMILES

CCCCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C

InChI

InChI=1S/C19H28N2O5S/c1-3-4-5-6-11-20-18(22)14-26-19(23)16-9-10-17-15(13-16)8-7-12-21(17)27(2,24)25/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,20,22)