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

Systemtic Name: (1-oxidanylidene-2-pentan-3-yl-3,4-dihydroisoquinolin-5-yl)methyl methanesulfonate Openeye Name: [2-(1-ethylpropyl)-1-oxo-3,4-dihydroisoquinolin-5-yl]methyl methanesulfonate CAS Name: methanesulfonic acid (1-oxo-2-pentan-3-yl-3,4-dihydroisoquinolin-5-yl)methyl ester IUPAC Name: (1-oxo-2-pentan-3-yl-3,4-dihydroisoquinolin-5-yl)methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(1-ethylpropyl)-1-keto-3,4-dihydroisoquinolin-5-yl]methyl ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCC2=C(C1=O)C=CC=C2COS(=O)(=O)C

Isomeric SMILES

CCC(CC)N1CCC2=C(C1=O)C=CC=C2COS(=O)(=O)C

InChI

InChI=1S/C16H23NO4S/c1-4-13(5-2)17-10-9-14-12(11-21-22(3,19)20)7-6-8-15(14)16(17)18/h6-8,13H,4-5,9-11H2,1-3H3