methyl 3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]propanoate

Systemtic Name: methyl 3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]propanoate Openeye Name: methyl 3-[2-(5-isoquinolylsulfonylamino)ethylamino]propanoate CAS Name: 3-[2-(5-isoquinolinylsulfonylamino)ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]propanoate Traditional Name: 3-[2-(5-isoquinolylsulfonylamino)ethylamino]propionic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

COC(=O)CCNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C15H19N3O4S/c1-22-15(19)6-8-16-9-10-18-23(20,21)14-4-2-3-12-11-17-7-5-13(12)14/h2-5,7,11,16,18H,6,8-10H2,1H3