[(3R)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3R)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R)-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R)-2-piazthiol-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(C1)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H20N4O3S2/c25-20(23-10-3-4-11-23)17-12-14-6-1-2-7-15(14)13-24(17)29(26,27)18-9-5-8-16-19(18)22-28-21-16/h1-2,5-9,17H,3-4,10-13H2/t17-/m1/s1