3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)butanoic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)butanoic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)butanoic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)butanoic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)butanoic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)butyric acid Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NS(=O)(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(CC(=O)O)NS(=O)(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H18N2O4S/c1-10(8-13(16)17)14-20(18,19)15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10,14H,6-9H2,1H3,(H,16,17)