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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)propanoic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)propanoic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)propionic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C12H16N2O4S/c15-12(16)5-7-13-19(17,18)14-8-6-10-3-1-2-4-11(10)9-14/h1-4,13H,5-9H2,(H,15,16)