methyl 2-[3-[5-(tert-butylsulfonylamino)pentanoylamino]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[5-(tert-butylsulfonylamino)pentanoylamino]phenoxy]ethanoate Openeye Name: methyl 2-[3-[5-(tert-butylsulfonylamino)pentanoylamino]phenoxy]acetate CAS Name: 2-[3-[[5-(tert-butylsulfonylamino)-1-oxopentyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[5-(tert-butylsulfonylamino)pentanoylamino]phenoxy]acetate Traditional Name: 2-[3-[5-(tert-butylsulfonylamino)pentanoylamino]phenoxy]acetic acid methyl ester Formula: C18H28N2O6S MolecularWeight: 400.48972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)NCCCCC(=O)NC1=CC(=CC=C1)OCC(=O)OC

Isomeric SMILES

CC(C)(C)S(=O)(=O)NCCCCC(=O)NC1=CC(=CC=C1)OCC(=O)OC

InChI

InChI=1S/C18H28N2O6S/c1-18(2,3)27(23,24)19-11-6-5-10-16(21)20-14-8-7-9-15(12-14)26-13-17(22)25-4/h7-9,12,19H,5-6,10-11,13H2,1-4H3,(H,20,21)