3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-yl-benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-yl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-ylbenzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-ylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridyl)benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C21H19N3O3S/c25-21(23-19-8-11-22-12-9-19)17-6-3-7-20(14-17)28(26,27)24-13-10-16-4-1-2-5-18(16)15-24/h1-9,11-12,14H,10,13,15H2,(H,22,23,25)