methyl 2-[2-(isoquinolin-5-ylsulfonylamino)ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-(isoquinolin-5-ylsulfonylamino)ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-(5-isoquinolylsulfonylamino)acetyl]amino]hexanoate CAS Name: 2-[[2-(5-isoquinolinylsulfonylamino)-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-(isoquinolin-5-ylsulfonylamino)acetyl]amino]hexanoate Traditional Name: 2-[[2-(5-isoquinolylsulfonylamino)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=C1C=CN=C2

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

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