N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3-benzothiazole-2-carboxamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S2/c27-22(23-25-20-8-4-5-9-21(20)30-23)24-18-11-10-16-12-13-26(15-17(16)14-18)31(28,29)19-6-2-1-3-7-19/h1-11,14H,12-13,15H2,(H,24,27)