(2-ethyl-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl)methyl methanesulfonate

Systemtic Name: (2-ethyl-1-oxidanylidene-3,4-dihydroisoquinolin-5-yl)methyl methanesulfonate Openeye Name: (2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)methyl methanesulfonate CAS Name: methanesulfonic acid (2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)methyl ester IUPAC Name: (2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid (2-ethyl-1-keto-3,4-dihydroisoquinolin-5-yl)methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1=O)C=CC=C2COS(=O)(=O)C

Isomeric SMILES

CCN1CCC2=C(C1=O)C=CC=C2COS(=O)(=O)C

InChI

InChI=1S/C13H17NO4S/c1-3-14-8-7-11-10(9-18-19(2,16)17)5-4-6-12(11)13(14)15/h4-6H,3,7-9H2,1-2H3