(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone

Systemtic Name: (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone IUPAC Name: (6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C=CC(=C3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C=CC(=C3)OC

InChI

InChI=1S/C21H25NO5S/c1-14(2)27-20-8-7-18(28(4,24)25)12-19(20)21(23)22-10-9-15-11-17(26-3)6-5-16(15)13-22/h5-8,11-12,14H,9-10,13H2,1-4H3