2-[[2-(2-acetyloxyethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[2-(2-acetyloxyethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[2-(2-acetoxyethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[2-(2-acetyloxyethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[[2-(2-acetyloxyethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[2-(2-acetoxyethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid Formula: C24H31NO7S MolecularWeight: 477.57044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CCOC(=O)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CCOC(=O)C

InChI

InChI=1S/C24H31NO7S/c1-3-4-12-22(24(28)29)25-23(27)20(16-33(30,31)14-13-32-17(2)26)15-19-10-7-9-18-8-5-6-11-21(18)19/h5-11,20,22H,3-4,12-16H2,1-2H3,(H,25,27)(H,28,29)