N-[[4-(4-fluoranylphenoxy)phenyl]methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[[4-(4-fluoranylphenoxy)phenyl]methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[4-(4-fluorophenoxy)benzyl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H23FN2O4S MolecularWeight: 454.513823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN2O4S/c1-32(29,30)27-16-19-5-3-2-4-18(19)14-23(27)24(28)26-15-17-6-10-21(11-7-17)31-22-12-8-20(25)9-13-22/h2-13,23H,14-16H2,1H3,(H,26,28)