methyl 4-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[2-(5-isoquinolylsulfonylamino)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(5-isoquinolinylsulfonylamino)ethylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[2-(isoquinolin-5-ylsulfonylamino)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(5-isoquinolylsulfonylamino)ethylamino]-4-keto-butyric acid methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

COC(=O)CCC(=O)NCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C16H19N3O5S/c1-24-16(21)6-5-15(20)18-9-10-19-25(22,23)14-4-2-3-12-11-17-8-7-13(12)14/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,18,20)