N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[(1S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-propyl]-2-fluoro-benzenesulfonamide CAS Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide IUPAC Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[(1S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-propyl]-2-fluoro-benzenesulfonamide Formula: C22H27FN2O5S MolecularWeight: 450.523583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NS(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NS(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H27FN2O5S/c1-14(2)21(24-31(27,28)20-8-6-5-7-17(20)23)22(26)25-10-9-15-11-18(29-3)19(30-4)12-16(15)13-25/h5-8,11-12,14,21,24H,9-10,13H2,1-4H3/t21-/m0/s1