methyl 2-(isoquinolin-5-ylsulfonylamino)ethanoate

Systemtic Name: methyl 2-(isoquinolin-5-ylsulfonylamino)ethanoate Openeye Name: methyl 2-(5-isoquinolylsulfonylamino)acetate CAS Name: 2-(5-isoquinolinylsulfonylamino)acetic acid methyl ester IUPAC Name: methyl 2-(isoquinolin-5-ylsulfonylamino)acetate Traditional Name: 2-(5-isoquinolylsulfonylamino)acetic acid methyl ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c1-18-12(15)8-14-19(16,17)11-4-2-3-9-7-13-6-5-10(9)11/h2-7,14H,8H2,1H3