4-isoquinolin-4-ylbut-3-ynyl methanesulfonate

Systemtic Name: 4-isoquinolin-4-ylbut-3-ynyl methanesulfonate Openeye Name: 4-(4-isoquinolyl)but-3-ynyl methanesulfonate CAS Name: methanesulfonic acid 4-(4-isoquinolinyl)but-3-ynyl ester IUPAC Name: 4-isoquinolin-4-ylbut-3-ynyl methanesulfonate Traditional Name: methanesulfonic acid 4-(4-isoquinolyl)but-3-ynyl ester Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCC#CC1=CN=CC2=CC=CC=C21

Isomeric SMILES

CS(=O)(=O)OCCC#CC1=CN=CC2=CC=CC=C21

InChI

InChI=1S/C14H13NO3S/c1-19(16,17)18-9-5-4-7-13-11-15-10-12-6-2-3-8-14(12)13/h2-3,6,8,10-11H,5,9H2,1H3