methyl 2-(isoquinolin-5-ylsulfonylamino)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-(isoquinolin-5-ylsulfonylamino)-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-(5-isoquinolylsulfonylamino)propanoate CAS Name: 3-hydroxy-2-(5-isoquinolinylsulfonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(isoquinolin-5-ylsulfonylamino)propanoate Traditional Name: 3-hydroxy-2-(5-isoquinolylsulfonylamino)propionic acid methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

COC(=O)C(CO)NS(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C13H14N2O5S/c1-20-13(17)11(8-16)15-21(18,19)12-4-2-3-9-7-14-6-5-10(9)12/h2-7,11,15-16H,8H2,1H3