tert-butyl 2-[[2-(ethylsulfonylmethyl)-3-quinolin-4-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(ethylsulfonylmethyl)-3-quinolin-4-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(ethylsulfonylmethyl)-3-(4-quinolyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-(ethylsulfonylmethyl)-1-oxo-3-(4-quinolinyl)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(ethylsulfonylmethyl)-3-quinolin-4-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(esylmethyl)-3-(4-quinolyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=NC2=CC=CC=C12)CS(=O)(=O)CC

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=NC2=CC=CC=C12)CS(=O)(=O)CC

InChI

InChI=1S/C25H36N2O5S/c1-6-8-12-22(24(29)32-25(3,4)5)27-23(28)19(17-33(30,31)7-2)16-18-14-15-26-21-13-10-9-11-20(18)21/h9-11,13-15,19,22H,6-8,12,16-17H2,1-5H3,(H,27,28)