N-[3,4-bis(fluoranyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(3,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(3,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(3,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(3,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C22H18F2N2O3S MolecularWeight: 428.451726

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=CC(=C(C=C4)F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H18F2N2O3S/c23-20-10-7-18(13-21(20)24)25-22(27)16-5-8-19(9-6-16)30(28,29)26-12-11-15-3-1-2-4-17(15)14-26/h1-10,13H,11-12,14H2,(H,25,27)