N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C23H18BrN3O3S2 MolecularWeight: 528.44132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br

InChI

InChI=1S/C23H18BrN3O3S2/c24-18-7-10-20-21(13-18)31-23(25-20)26-22(28)16-5-8-19(9-6-16)32(29,30)27-12-11-15-3-1-2-4-17(15)14-27/h1-10,13H,11-12,14H2,(H,25,26,28)