N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(3,4-dihydroisoquinolin-1-yl)phenyl]piazthiole-4-sulfonamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H16N4O2S2/c26-29(27,19-11-5-10-18-21(19)24-28-23-18)25-17-9-4-3-8-16(17)20-15-7-2-1-6-14(15)12-13-22-20/h1-11,25H,12-13H2