2-(6-chloranylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid

Systemtic Name: 2-(6-chloranylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid Openeye Name: 2-(6-chlorosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid CAS Name: 2-(6-chlorosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid IUPAC Name: 2-(6-chlorosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Traditional Name: 2-(6-chlorosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Formula: C11H12ClNO4S MolecularWeight: 289.73528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)S(=O)(=O)Cl)CC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)S(=O)(=O)Cl)CC(=O)O

InChI

InChI=1S/C11H12ClNO4S/c12-18(16,17)10-2-1-9-6-13(7-11(14)15)4-3-8(9)5-10/h1-2,5H,3-4,6-7H2,(H,14,15)