N-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-benzamide

Systemtic Name: N-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoranyl-benzamide Openeye Name: N-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzamide CAS Name: N-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluorobenzamide IUPAC Name: N-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluorobenzamide Traditional Name: N-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-benzamide Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4Cl)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4Cl)F

InChI

InChI=1S/C22H18ClFN2O3S/c23-18-7-3-4-8-20(18)25-22(27)16-9-10-19(24)21(13-16)30(28,29)26-12-11-15-5-1-2-6-17(15)14-26/h1-10,13H,11-12,14H2,(H,25,27)