N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-fluoranyl-benzamide

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-fluoranyl-benzamide Openeye Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-fluoro-benzamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-fluorobenzamide IUPAC Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-fluorobenzamide Traditional Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-fluoro-benzamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)CCCNC(=O)C3=CC(=CC=C3)F)OC

InChI

InChI=1S/C21H25FN2O5S/c1-28-19-12-15-7-9-24(14-17(15)13-20(19)29-2)30(26,27)10-4-8-23-21(25)16-5-3-6-18(22)11-16/h3,5-6,11-13H,4,7-10,14H2,1-2H3,(H,23,25)