tert-butyl 2-[[2-(2-hydroxyethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(2-hydroxyethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(2-hydroxyethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-(2-hydroxyethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(2-hydroxyethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(2-hydroxyethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C26H37NO6S MolecularWeight: 491.64008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO6S/c1-5-6-14-23(25(30)33-26(2,3)4)27-24(29)21(18-34(31,32)16-15-28)17-20-12-9-11-19-10-7-8-13-22(19)20/h7-13,21,23,28H,5-6,14-18H2,1-4H3,(H,27,29)