2-[[2-(ethylsulfonylmethyl)-3-(3-methylphenyl)propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(ethylsulfonylmethyl)-3-(3-methylphenyl)propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(ethylsulfonylmethyl)-3-(m-tolyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(ethylsulfonylmethyl)-3-(3-methylphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-(ethylsulfonylmethyl)-3-(3-methylphenyl)propanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(esylmethyl)-3-(m-tolyl)propanoyl]amino]hexanoic acid Formula: C19H29NO5S MolecularWeight: 383.50226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC(=C1)C)CS(=O)(=O)CC

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC(=C1)C)CS(=O)(=O)CC

InChI

InChI=1S/C19H29NO5S/c1-4-6-10-17(19(22)23)20-18(21)16(13-26(24,25)5-2)12-15-9-7-8-14(3)11-15/h7-9,11,16-17H,4-6,10,12-13H2,1-3H3,(H,20,21)(H,22,23)