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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butanoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)butyrate Formula: C13H16NO4S- MolecularWeight: 282.33544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCC(=O)[O-]

InChI

InChI=1S/C13H17NO4S/c15-13(16)6-3-9-19(17,18)14-8-7-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10H2,(H,15,16)/p-1