methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate

Systemtic Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate Openeye Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butyric acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCS(=O)(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)CCCS(=O)(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H19NO4S/c1-19-14(16)7-4-10-20(17,18)15-9-8-12-5-2-3-6-13(12)11-15/h2-3,5-6H,4,7-11H2,1H3