2-[[2-(ethylsulfonylmethyl)-3-quinolin-8-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(ethylsulfonylmethyl)-3-quinolin-8-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(ethylsulfonylmethyl)-3-(8-quinolyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(ethylsulfonylmethyl)-1-oxo-3-(8-quinolinyl)propyl]amino]hexanoic acid IUPAC Name: 2-[[2-(ethylsulfonylmethyl)-3-quinolin-8-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(esylmethyl)-3-(8-quinolyl)propanoyl]amino]hexanoic acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=C1N=CC=C2)CS(=O)(=O)CC

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=C1N=CC=C2)CS(=O)(=O)CC

InChI

InChI=1S/C21H28N2O5S/c1-3-5-11-18(21(25)26)23-20(24)17(14-29(27,28)4-2)13-16-9-6-8-15-10-7-12-22-19(15)16/h6-10,12,17-18H,3-5,11,13-14H2,1-2H3,(H,23,24)(H,25,26)