6,7-dimethoxy-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-(5-pyrrolidinosulfonyl-2-pyridyl)-3,4-dihydro-1H-isoquinoline Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4)OC

InChI

InChI=1S/C20H25N3O4S/c1-26-18-11-15-7-10-22(14-16(15)12-19(18)27-2)20-6-5-17(13-21-20)28(24,25)23-8-3-4-9-23/h5-6,11-13H,3-4,7-10,14H2,1-2H3