methyl 2-[2-(quinolin-8-ylsulfonylamino)ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-(quinolin-8-ylsulfonylamino)ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-(8-quinolylsulfonylamino)acetyl]amino]hexanoate CAS Name: 2-[[1-oxo-2-(8-quinolinylsulfonylamino)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(quinolin-8-ylsulfonylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(8-quinolylsulfonylamino)acetyl]amino]hexanoic acid methyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C18H23N3O5S/c1-3-4-9-14(18(23)26-2)21-16(22)12-20-27(24,25)15-10-5-7-13-8-6-11-19-17(13)15/h5-8,10-11,14,20H,3-4,9,12H2,1-2H3,(H,21,22)